134 KiB
134 KiB
| 1 | num_bonds | num_atoms | _original_file | _batch_id | mol_weight | smiles | _source_file | inchi | num_rings | _ring_size |
|---|---|---|---|---|---|---|---|---|---|---|
| 2 | 38 | 35 | 509.1199305979998 | C[C@@H]1N[P@@](=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2OC(=O)[C@H](C)OC1=O | InChI=1S/C21H24N3O10P/c1-12-19(26)31-13(2)20(27)33-15-10-18(24-9-8-17(25)22-21(24)28)32-16(15)11-30-35(29,23-12)34-14-6-4-3-5-7-14/h3-9,12-13,15-16,18H,10-11H2,1-2H3,(H,23,29)(H,22,25,28)/t12-,13-,15-,16+,18+,35-/m0/s1 | 4 | ||||
| 3 | 40 | 37 | 541.1261588499999 | C[C@@H]1N[P@@](=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(F)[C@@H]2OC(=O)[C@H](C)OC1=O | InChI=1S/C22H25FN3O10P/c1-12-18(28)33-13(2)19(29)35-17-15(11-32-37(31,25-12)36-14-7-5-4-6-8-14)34-20(22(17,3)23)26-10-9-16(27)24-21(26)30/h4-10,12-13,15,17,20H,11H2,1-3H3,(H,25,31)(H,24,27,30)/t12-,13-,15+,17+,20+,22+,37-/m0/s1 | 4 | ||||
| 4 | 30 | 28 | 381.178752204 | [H][C@]1(C)O[C@@]12C[C@@H](C)C(C)(O)C(=O)OC/C1=C/CN(C)CCC(OC2=O)C1=O | InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14?,18?,19+/m1/s1 | 3 | ||||
| 5 | 35 | 34 | 441.199881572 | [H]C1([H])[C@](O)(C(C)O)C(=O)OC2CCN(C)C/C=C(/COC(=O)[C@@](C)(OC(C)=O)[C@]1([H])C)C2=O | InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13?,16?,20+,21+/m1/s1 | 2 | ||||
| 6 | 26 | 24 | 337.18892296399997 | C/C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23 | InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4- | 3 | ||||
| 7 | 24 | 22 | 303.18344366 | O=C1OCCOc2ccccc2CCCCC12CCNCC2 | InChI=1S/C18H25NO3/c20-17-18(9-11-19-12-10-18)8-4-3-6-15-5-1-2-7-16(15)21-13-14-22-17/h1-2,5,7,19H,3-4,6,8-14H2 | 3 | ||||
| 8 | 33 | 30 | 411.21580640800005 | Cn1ccnc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H29N3O4/c1-25-15-12-24-20(25)21(27)26-13-10-23(11-14-26)9-5-4-7-18-6-2-3-8-19(18)29-16-17-30-22(23)28/h2-3,6,8,12,15H,4-5,7,9-11,13-14,16-17H2,1H3 | 4 | ||||
| 9 | 34 | 31 | 425.20023659599997 | O=C(c1ccccc1F)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H28FNO4/c26-21-10-3-2-9-20(21)23(28)27-15-13-25(14-16-27)12-6-5-8-19-7-1-4-11-22(19)30-17-18-31-24(25)29/h1-4,7,9-11H,5-6,8,12-18H2 | 4 | ||||
| 10 | 34 | 31 | 422.22055744 | O=C(Cc1ccccn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H30N2O4/c28-23(19-21-9-4-6-14-26-21)27-15-12-25(13-16-27)11-5-3-8-20-7-1-2-10-22(20)30-17-18-31-24(25)29/h1-2,4,6-7,9-10,14H,3,5,8,11-13,15-19H2 | 4 | ||||
| 11 | 31 | 28 | 385.22530847200005 | O=C(CC1CC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H31NO4/c25-21(17-18-8-9-18)24-13-11-23(12-14-24)10-4-3-6-19-5-1-2-7-20(19)27-15-16-28-22(23)26/h1-2,5,7,18H,3-4,6,8-17H2 | 4 | ||||
| 12 | 34 | 31 | 427.272258664 | O=C(CCC1CCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H37NO4/c28-24(13-12-21-7-1-2-8-21)27-17-15-26(16-18-27)14-6-5-10-22-9-3-4-11-23(22)30-19-20-31-25(26)29/h3-4,9,11,21H,1-2,5-8,10,12-20H2 | 4 | ||||
| 13 | 28 | 26 | 359.20965840800005 | CCC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C21H29NO4/c1-2-19(23)22-13-11-21(12-14-22)10-6-5-8-17-7-3-4-9-18(17)25-15-16-26-20(21)24/h3-4,7,9H,2,5-6,8,10-16H2,1H3 | 3 | ||||
| 14 | 32 | 29 | 399.24095853600005 | O=C(C1CCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H33NO4/c26-22(20-9-1-2-10-20)25-15-13-24(14-16-25)12-6-5-8-19-7-3-4-11-21(19)28-17-18-29-23(24)27/h3-4,7,11,20H,1-2,5-6,8-10,12-18H2 | 4 | ||||
| 15 | 33 | 30 | 413.25660860000005 | O=C(CC1CCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H35NO4/c27-23(19-20-7-1-2-8-20)26-15-13-25(14-16-26)12-6-5-10-21-9-3-4-11-22(21)29-17-18-30-24(25)28/h3-4,9,11,20H,1-2,5-8,10,12-19H2 | 4 | ||||
| 16 | 33 | 30 | 413.25660860000005 | O=C(C1CCCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H35NO4/c27-23(21-10-2-1-3-11-21)26-16-14-25(15-17-26)13-7-6-9-20-8-4-5-12-22(20)29-18-19-30-24(25)28/h4-5,8,12,21H,1-3,6-7,9-11,13-19H2 | 4 | ||||
| 17 | 34 | 31 | 442.165935024 | O=C(c1ccc(Cl)cn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H27ClN2O4/c25-19-8-9-20(26-17-19)22(28)27-13-11-24(12-14-27)10-4-3-6-18-5-1-2-7-21(18)30-15-16-31-23(24)29/h1-2,5,7-9,17H,3-4,6,10-16H2 | 4 | ||||
| 18 | 31 | 29 | 401.25660860000005 | CC(C)(C)CC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H35NO4/c1-23(2,3)18-21(26)25-14-12-24(13-15-25)11-7-6-9-19-8-4-5-10-20(19)28-16-17-29-22(24)27/h4-5,8,10H,6-7,9,11-18H2,1-3H3 | 3 | ||||
| 19 | 34 | 31 | 424.19982199599997 | O=C(c1ccnc(O)c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H28N2O5/c27-21-17-19(8-12-25-21)22(28)26-13-10-24(11-14-26)9-4-3-6-18-5-1-2-7-20(18)30-15-16-31-23(24)29/h1-2,5,7-8,12,17H,3-4,6,9-11,13-16H2,(H,25,27) | 4 | ||||
| 20 | 35 | 32 | 435.240958536 | Cc1cccc(C)c1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H33NO4/c1-20-8-7-9-21(2)24(20)25(29)28-16-14-27(15-17-28)13-6-5-11-22-10-3-4-12-23(22)31-18-19-32-26(27)30/h3-4,7-10,12H,5-6,11,13-19H2,1-2H3 | 4 | ||||
| 21 | 36 | 33 | 471.18125074 | O=C(COc1ccc(Cl)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H30ClNO5/c27-21-8-10-22(11-9-21)33-19-24(29)28-15-13-26(14-16-28)12-4-3-6-20-5-1-2-7-23(20)31-17-18-32-25(26)30/h1-2,5,7-11H,3-4,6,12-19H2 | 4 | ||||
| 22 | 34 | 31 | 425.23145647200005 | Cc1cc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)nn1C | InChI=1S/C24H31N3O4/c1-18-17-20(25-26(18)2)22(28)27-13-11-24(12-14-27)10-6-5-8-19-7-3-4-9-21(19)30-15-16-31-23(24)29/h3-4,7,9,17H,5-6,8,10-16H2,1-2H3 | 4 | ||||
| 23 | 27 | 25 | 345.19400834400005 | CC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C20H27NO4/c1-16(22)21-12-10-20(11-13-21)9-5-4-7-17-6-2-3-8-18(17)24-14-15-25-19(20)23/h2-3,6,8H,4-5,7,9-15H2,1H3 | 3 | ||||
| 24 | 32 | 29 | 397.20015634400005 | O=C(c1cc[nH]n1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H27N3O4/c26-20(18-8-12-23-24-18)25-13-10-22(11-14-25)9-4-3-6-17-5-1-2-7-19(17)28-15-16-29-21(22)27/h1-2,5,7-8,12H,3-4,6,9-11,13-16H2,(H,23,24) | 4 | ||||
| 25 | 35 | 32 | 437.220223092 | COc1ccccc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H31NO5/c1-30-23-12-5-3-10-21(23)24(28)27-16-14-26(15-17-27)13-7-6-9-20-8-2-4-11-22(20)31-18-19-32-25(26)29/h2-5,8,10-12H,6-7,9,13-19H2,1H3 | 4 | ||||
| 26 | 34 | 31 | 427.272258664 | O=C(C1CCCCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H37NO4/c28-24(22-11-3-1-2-4-12-22)27-17-15-26(16-18-27)14-8-7-10-21-9-5-6-13-23(21)30-19-20-31-25(26)29/h5-6,9,13,22H,1-4,7-8,10-12,14-20H2 | 4 | ||||
| 27 | 35 | 32 | 437.220223092 | O=C(COc1ccccc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H31NO5/c28-24(20-32-22-10-2-1-3-11-22)27-16-14-26(15-17-27)13-7-6-9-21-8-4-5-12-23(21)30-18-19-31-25(26)29/h1-5,8,10-12H,6-7,9,13-20H2 | 4 | ||||
| 28 | 29 | 27 | 373.22530847200005 | CC(C)C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H31NO4/c1-17(2)20(24)23-13-11-22(12-14-23)10-6-5-8-18-7-3-4-9-19(18)26-15-16-27-21(22)25/h3-4,7,9,17H,5-6,8,10-16H2,1-2H3 | 3 | ||||
| 29 | 30 | 28 | 387.24095853600005 | CC(C)CC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H33NO4/c1-18(2)17-21(25)24-13-11-23(12-14-24)10-6-5-8-19-7-3-4-9-20(19)27-15-16-28-22(23)26/h3-4,7,9,18H,5-6,8,10-17H2,1-2H3 | 3 | ||||
| 30 | 30 | 27 | 371.20965840800005 | O=C(C1CC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H29NO4/c24-20(18-8-9-18)23-13-11-22(12-14-23)10-4-3-6-17-5-1-2-7-19(17)26-15-16-27-21(22)25/h1-2,5,7,18H,3-4,6,8-16H2 | 4 | ||||
| 31 | 29 | 27 | 375.2045730280001 | COCC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C21H29NO5/c1-25-16-19(23)22-12-10-21(11-13-22)9-5-4-7-17-6-2-3-8-18(17)26-14-15-27-20(21)24/h2-3,6,8H,4-5,7,9-16H2,1H3 | 3 | ||||
| 32 | 34 | 31 | 428.267507632 | O=C(CN1CCCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H36N2O4/c28-23(20-26-14-6-1-7-15-26)27-16-12-25(13-17-27)11-5-4-9-21-8-2-3-10-22(21)30-18-19-31-24(25)29/h2-3,8,10H,1,4-7,9,11-20H2 | 4 | ||||
| 33 | 35 | 32 | 435.240958536 | O=C(CCc1ccccc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H33NO4/c29-25(14-13-22-8-2-1-3-9-22)28-18-16-27(17-19-28)15-7-6-11-23-10-4-5-12-24(23)31-20-21-32-26(27)30/h1-5,8-10,12H,6-7,11,13-21H2 | 4 | ||||
| 34 | 37 | 34 | 469.22645134399994 | O=C(CCOc1ccc(F)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H32FNO5/c28-22-8-10-23(11-9-22)32-18-12-25(30)29-16-14-27(15-17-29)13-4-3-6-21-5-1-2-7-24(21)33-19-20-34-26(27)31/h1-2,5,7-11H,3-4,6,12-20H2 | 4 | ||||
| 35 | 34 | 31 | 421.225308472 | O=C(Cc1ccccc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H31NO4/c28-24(20-21-8-2-1-3-9-21)27-16-14-26(15-17-27)13-7-6-11-22-10-4-5-12-23(22)30-18-19-31-25(26)29/h1-5,8-10,12H,6-7,11,13-20H2 | 4 | ||||
| 36 | 35 | 32 | 437.220223092 | COc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)cc1 | InChI=1S/C26H31NO5/c1-30-22-11-9-21(10-12-22)24(28)27-16-14-26(15-17-27)13-5-4-7-20-6-2-3-8-23(20)31-18-19-32-25(26)29/h2-3,6,8-12H,4-5,7,13-19H2,1H3 | 4 | ||||
| 37 | 31 | 28 | 385.22530847200005 | O=C(C1CCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H31NO4/c25-21(19-8-5-9-19)24-14-12-23(13-15-24)11-4-3-7-18-6-1-2-10-20(18)27-16-17-28-22(23)26/h1-2,6,10,19H,3-5,7-9,11-17H2 | 4 | ||||
| 38 | 37 | 33 | 448.211055376 | O=C(c1ccc2[nH]nnc2c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H28N4O4/c30-23(19-8-9-20-21(17-19)27-28-26-20)29-13-11-25(12-14-29)10-4-3-6-18-5-1-2-7-22(18)32-15-16-33-24(25)31/h1-2,5,7-9,17H,3-4,6,10-16H2,(H,26,27,28) | 5 | ||||
| 39 | 30 | 28 | 388.236207504 | CN(C)CC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H32N2O4/c1-23(2)17-20(25)24-13-11-22(12-14-24)10-6-5-8-18-7-3-4-9-19(18)27-15-16-28-21(22)26/h3-4,7,9H,5-6,8,10-17H2,1-2H3 | 3 | ||||
| 40 | 34 | 31 | 423.21580640800005 | Nc1ncccc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H29N3O4/c25-21-19(8-5-13-26-21)22(28)27-14-11-24(12-15-27)10-4-3-7-18-6-1-2-9-20(18)30-16-17-31-23(24)29/h1-2,5-6,8-9,13H,3-4,7,10-12,14-17H2,(H2,25,26) | 4 | ||||
| 41 | 37 | 33 | 447.215806408 | O=C(c1ccc2[nH]cnc2c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H29N3O4/c30-24(20-8-9-21-22(17-20)28-18-27-21)29-13-11-26(12-14-29)10-4-3-6-19-5-1-2-7-23(19)32-15-16-33-25(26)31/h1-2,5,7-9,17-18H,3-4,6,10-16H2,(H,27,28) | 5 | ||||
| 42 | 36 | 33 | 471.18125074 | O=C(COc1cccc(Cl)c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H30ClNO5/c27-21-8-5-9-22(18-21)33-19-24(29)28-14-12-26(13-15-28)11-4-3-7-20-6-1-2-10-23(20)31-16-17-32-25(26)30/h1-2,5-6,8-10,18H,3-4,7,11-17,19H2 | 4 | ||||
| 43 | 33 | 30 | 411.21580640800005 | O=C(Cn1cccn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H29N3O4/c27-21(18-26-13-5-12-24-26)25-14-10-23(11-15-25)9-4-3-7-19-6-1-2-8-20(19)29-16-17-30-22(23)28/h1-2,5-6,8,12-13H,3-4,7,9-11,14-18H2 | 4 | ||||
| 44 | 33 | 30 | 408.204907376 | O=C(c1ccccn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H28N2O4/c27-22(20-9-4-6-14-25-20)26-15-12-24(13-16-26)11-5-3-8-19-7-1-2-10-21(19)29-17-18-30-23(24)28/h1-2,4,6-7,9-10,14H,3,5,8,11-13,15-18H2 | 4 | ||||
| 45 | 38 | 34 | 461.231456472 | Cc1nc2ccc(C(=O)N3CCC4(CCCCc5ccccc5OCCOC4=O)CC3)cc2[nH]1 | InChI=1S/C27H31N3O4/c1-19-28-22-10-9-21(18-23(22)29-19)25(31)30-14-12-27(13-15-30)11-5-4-7-20-6-2-3-8-24(20)33-16-17-34-26(27)32/h2-3,6,8-10,18H,4-5,7,11-17H2,1H3,(H,28,29) | 5 | ||||
| 46 | 35 | 32 | 438.21547205999997 | COc1cc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)ccn1 | InChI=1S/C25H30N2O5/c1-30-22-18-20(9-13-26-22)23(28)27-14-11-25(12-15-27)10-5-4-7-19-6-2-3-8-21(19)31-16-17-32-24(25)29/h2-3,6,8-9,13,18H,4-5,7,10-12,14-17H2,1H3 | 4 | ||||
| 47 | 37 | 33 | 446.22055744 | O=C(c1cccc2cc[nH]c12)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H30N2O4/c30-25(22-9-5-8-21-11-15-28-24(21)22)29-16-13-27(14-17-29)12-4-3-7-20-6-1-2-10-23(20)32-18-19-33-26(27)31/h1-2,5-6,8-11,15,28H,3-4,7,12-14,16-19H2 | 5 | ||||
| 48 | 37 | 33 | 446.22055744 | O=C(c1cc2ccccc2[nH]1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H30N2O4/c30-25(23-19-21-9-1-3-10-22(21)28-23)29-15-13-27(14-16-29)12-6-5-8-20-7-2-4-11-24(20)32-17-18-33-26(27)31/h1-4,7,9-11,19,28H,5-6,8,12-18H2 | 5 | ||||
| 49 | 33 | 30 | 411.21580640800005 | O=C(Cn1ccnc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H29N3O4/c27-21(17-25-14-11-24-18-25)26-12-9-23(10-13-26)8-4-3-6-19-5-1-2-7-20(19)29-15-16-30-22(23)28/h1-2,5,7,11,14,18H,3-4,6,8-10,12-13,15-17H2 | 4 | ||||
| 50 | 33 | 30 | 408.204907376 | O=C(c1cccnc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H28N2O4/c27-22(20-8-5-13-25-18-20)26-14-11-24(12-15-26)10-4-3-7-19-6-1-2-9-21(19)29-16-17-30-23(24)28/h1-2,5-6,8-9,13,18H,3-4,7,10-12,14-17H2 | 4 | ||||
| 51 | 36 | 33 | 450.251857568 | CN(C)c1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c1 | InChI=1S/C27H34N2O4/c1-28(2)23-11-7-10-22(20-23)25(30)29-16-14-27(15-17-29)13-6-5-9-21-8-3-4-12-24(21)32-18-19-33-26(27)31/h3-4,7-8,10-12,20H,5-6,9,13-19H2,1-2H3 | 4 | ||||
| 52 | 35 | 32 | 438.21547205999997 | COc1ncccc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H30N2O5/c1-30-22-20(9-6-14-26-22)23(28)27-15-12-25(13-16-27)11-5-4-8-19-7-2-3-10-21(19)31-17-18-32-24(25)29/h2-3,6-7,9-10,14H,4-5,8,11-13,15-18H2,1H3 | 4 | ||||
| 53 | 33 | 30 | 411.21580640800005 | Cn1cnc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c1 | InChI=1S/C23H29N3O4/c1-25-16-19(24-17-25)21(27)26-12-10-23(11-13-26)9-5-4-7-18-6-2-3-8-20(18)29-14-15-30-22(23)28/h2-3,6,8,16-17H,4-5,7,9-15H2,1H3 | 4 | ||||
| 54 | 30 | 28 | 389.2202230920001 | COCCC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H31NO5/c1-26-15-9-20(24)23-13-11-22(12-14-23)10-5-4-7-18-6-2-3-8-19(18)27-16-17-28-21(22)25/h2-3,6,8H,4-5,7,9-17H2,1H3 | 3 | ||||
| 55 | 39 | 36 | 514.213757808 | Cc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)cc1 | InChI=1S/C27H34N2O6S/c1-21-9-11-23(12-10-21)36(32,33)28-20-25(30)29-16-14-27(15-17-29)13-5-4-7-22-6-2-3-8-24(22)34-18-19-35-26(27)31/h2-3,6,8-12,28H,4-5,7,13-20H2,1H3 | 4 | ||||
| 56 | 33 | 30 | 428.17697837599997 | Cc1ncsc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H28N2O4S/c1-17-20(30-16-24-17)21(26)25-12-10-23(11-13-25)9-5-4-7-18-6-2-3-8-19(18)28-14-15-29-22(23)27/h2-3,6,8,16H,4-5,7,9-15H2,1H3 | 4 | ||||
| 57 | 37 | 33 | 447.215806408 | O=C(c1n[nH]c2ccccc12)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H29N3O4/c30-24(23-20-9-2-3-10-21(20)27-28-23)29-15-13-26(14-16-29)12-6-5-8-19-7-1-4-11-22(19)32-17-18-33-25(26)31/h1-4,7,9-11H,5-6,8,12-18H2,(H,27,28) | 5 | ||||
| 58 | 35 | 32 | 438.21547205999997 | COc1ccnc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c1 | InChI=1S/C25H30N2O5/c1-30-20-9-13-26-21(18-20)23(28)27-14-11-25(12-15-27)10-5-4-7-19-6-2-3-8-22(19)31-16-17-32-24(25)29/h2-3,6,8-9,13,18H,4-5,7,10-12,14-17H2,1H3 | 4 | ||||
| 59 | 35 | 32 | 438.21547205999997 | COc1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)n1 | InChI=1S/C25H30N2O5/c1-30-22-11-6-9-20(26-22)23(28)27-15-13-25(14-16-27)12-5-4-8-19-7-2-3-10-21(19)31-17-18-32-24(25)29/h2-3,6-7,9-11H,4-5,8,12-18H2,1H3 | 4 | ||||
| 60 | 38 | 34 | 460.236207504 | Cn1cc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c2ccccc21 | InChI=1S/C28H32N2O4/c1-29-20-23(22-10-3-4-11-24(22)29)26(31)30-16-14-28(15-17-30)13-7-6-9-21-8-2-5-12-25(21)33-18-19-34-27(28)32/h2-5,8,10-12,20H,6-7,9,13-19H2,1H3 | 5 | ||||
| 61 | 37 | 33 | 446.22055744 | O=C(c1ccc2cc[nH]c2c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H30N2O4/c30-25(22-9-8-20-10-14-28-23(20)19-22)29-15-12-27(13-16-29)11-4-3-6-21-5-1-2-7-24(21)32-17-18-33-26(27)31/h1-2,5,7-10,14,19,28H,3-4,6,11-13,15-18H2 | 5 | ||||
| 62 | 34 | 31 | 426.21547205999997 | Cc1noc(C)c1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H30N2O5/c1-17-21(18(2)31-25-17)22(27)26-13-11-24(12-14-26)10-6-5-8-19-7-3-4-9-20(19)29-15-16-30-23(24)28/h3-4,7,9H,5-6,8,10-16H2,1-2H3 | 4 | ||||
| 63 | 33 | 30 | 411.21580640800005 | Cn1nccc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H29N3O4/c1-25-19(9-13-24-25)21(27)26-14-11-23(12-15-26)10-5-4-7-18-6-2-3-8-20(18)29-16-17-30-22(23)28/h2-3,6,8-9,13H,4-5,7,10-12,14-17H2,1H3 | 4 | ||||
| 64 | 37 | 33 | 446.22055744 | O=C(c1cccc2[nH]ccc12)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H30N2O4/c30-25(22-8-5-9-23-21(22)11-15-28-23)29-16-13-27(14-17-29)12-4-3-7-20-6-1-2-10-24(20)32-18-19-33-26(27)31/h1-2,5-6,8-11,15,28H,3-4,7,12-14,16-19H2 | 5 | ||||
| 65 | 33 | 30 | 412.211055376 | O=C(Cn1cncn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H28N4O4/c27-20(15-26-17-23-16-24-26)25-11-9-22(10-12-25)8-4-3-6-18-5-1-2-7-19(18)29-13-14-30-21(22)28/h1-2,5,7,16-17H,3-4,6,8-15H2 | 4 | ||||
| 66 | 34 | 31 | 423.21580640800005 | Nc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)cn1 | InChI=1S/C24H29N3O4/c25-21-9-8-19(17-26-21)22(28)27-13-11-24(12-14-27)10-4-3-6-18-5-1-2-7-20(18)30-15-16-31-23(24)29/h1-2,5,7-9,17H,3-4,6,10-16H2,(H2,25,26) | 4 | ||||
| 67 | 33 | 30 | 429.172227344 | Nc1ncc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)s1 | InChI=1S/C22H27N3O4S/c23-21-24-15-18(30-21)19(26)25-11-9-22(10-12-25)8-4-3-6-16-5-1-2-7-17(16)28-13-14-29-20(22)27/h1-2,5,7,15H,3-4,6,8-14H2,(H2,23,24) | 4 | ||||
| 68 | 34 | 31 | 425.195070964 | O=C(c1ccc(=O)[nH]n1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H27N3O5/c27-20-9-8-18(24-25-20)21(28)26-13-11-23(12-14-26)10-4-3-6-17-5-1-2-7-19(17)30-15-16-31-22(23)29/h1-2,5,7-9H,3-4,6,10-16H2,(H,25,27) | 4 | ||||
| 69 | 34 | 31 | 421.225308472 | Cc1ccccc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H31NO4/c1-20-8-2-4-11-22(20)24(28)27-16-14-26(15-17-27)13-7-6-10-21-9-3-5-12-23(21)30-18-19-31-25(26)29/h2-5,8-9,11-12H,6-7,10,13-19H2,1H3 | 4 | ||||
| 70 | 32 | 30 | 427.19704303599997 | O=C(CCC(F)(F)F)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H28F3NO4/c23-22(24,25)10-8-19(27)26-13-11-21(12-14-26)9-4-3-6-17-5-1-2-7-18(17)29-15-16-30-20(21)28/h1-2,5,7H,3-4,6,8-16H2 | 3 | ||||
| 71 | 34 | 31 | 422.22055744 | O=C(Cc1cccnc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H30N2O4/c28-23(18-20-6-5-13-26-19-20)27-14-11-25(12-15-27)10-4-3-8-21-7-1-2-9-22(21)30-16-17-31-24(25)29/h1-2,5-7,9,13,19H,3-4,8,10-12,14-18H2 | 4 | ||||
| 72 | 33 | 30 | 407.20965840800005 | O=C(c1ccccc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H29NO4/c27-23(21-10-2-1-3-11-21)26-16-14-25(15-17-26)13-7-6-9-20-8-4-5-12-22(20)29-18-19-30-24(25)28/h1-5,8,10-12H,6-7,9,13-19H2 | 4 | ||||
| 73 | 35 | 32 | 443.27840666400004 | CN1CCN(CC(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)CC1 | InChI=1S/C25H37N3O4/c1-26-14-16-27(17-15-26)20-23(29)28-12-10-25(11-13-28)9-5-4-7-21-6-2-3-8-22(21)31-18-19-32-24(25)30/h2-3,6,8H,4-5,7,9-20H2,1H3 | 4 | ||||
| 74 | 36 | 33 | 469.20198618399996 | O=C(CCc1ccc(Cl)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H32ClNO4/c28-23-11-8-21(9-12-23)10-13-25(30)29-17-15-27(16-18-29)14-4-3-6-22-5-1-2-7-24(22)32-19-20-33-26(27)31/h1-2,5,7-9,11-12H,3-4,6,10,13-20H2 | 4 | ||||
| 75 | 34 | 31 | 425.20023659599997 | O=C(c1ccc(F)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H28FNO4/c26-21-10-8-20(9-11-21)23(28)27-15-13-25(14-16-27)12-4-3-6-19-5-1-2-7-22(19)30-17-18-31-24(25)29/h1-2,5,7-11H,3-4,6,12-18H2 | 4 | ||||
| 76 | 34 | 31 | 421.225308472 | Cc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)cc1 | InChI=1S/C26H31NO4/c1-20-9-11-22(12-10-20)24(28)27-16-14-26(15-17-27)13-5-4-7-21-6-2-3-8-23(21)30-18-19-31-25(26)29/h2-3,6,8-12H,4-5,7,13-19H2,1H3 | 4 | ||||
| 77 | 34 | 31 | 421.225308472 | Cc1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c1 | InChI=1S/C26H31NO4/c1-20-7-6-10-22(19-20)24(28)27-15-13-26(14-16-27)12-5-4-9-21-8-2-3-11-23(21)30-17-18-31-25(26)29/h2-3,6-8,10-11,19H,4-5,9,12-18H2,1H3 | 4 | ||||
| 78 | 36 | 33 | 469.20198618399996 | O=C(CCc1ccccc1Cl)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H32ClNO4/c28-23-10-3-1-7-21(23)12-13-25(30)29-17-15-27(16-18-29)14-6-5-9-22-8-2-4-11-24(22)32-19-20-33-26(27)31/h1-4,7-8,10-11H,5-6,9,12-20H2 | 4 | ||||
| 79 | 35 | 32 | 443.190814784 | O=C(c1cc(F)cc(F)c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H27F2NO4/c26-20-15-19(16-21(27)17-20)23(29)28-11-9-25(10-12-28)8-4-3-6-18-5-1-2-7-22(18)31-13-14-32-24(25)30/h1-2,5,7,15-17H,3-4,6,8-14H2 | 4 | ||||
| 80 | 34 | 31 | 441.17068605599997 | O=C(c1ccc(Cl)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H28ClNO4/c26-21-10-8-20(9-11-21)23(28)27-15-13-25(14-16-27)12-4-3-6-19-5-1-2-7-22(19)30-17-18-31-24(25)29/h1-2,5,7-11H,3-4,6,12-18H2 | 4 | ||||
| 81 | 35 | 32 | 455.18633611999996 | O=C(Cc1ccc(Cl)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H30ClNO4/c27-22-10-8-20(9-11-22)19-24(29)28-15-13-26(14-16-28)12-4-3-6-21-5-1-2-7-23(21)31-17-18-32-25(26)30/h1-2,5,7-11H,3-4,6,12-19H2 | 4 | ||||
| 82 | 32 | 29 | 414.16132831199997 | O=C(c1cscn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H26N2O4S/c25-20(18-15-29-16-23-18)24-11-9-22(10-12-24)8-4-3-6-17-5-1-2-7-19(17)27-13-14-28-21(22)26/h1-2,5,7,15-16H,3-4,6,8-14H2 | 4 | ||||
| 83 | 37 | 34 | 475.19704303599997 | O=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H28F3NO4/c27-26(28,29)21-10-8-20(9-11-21)23(31)30-15-13-25(14-16-30)12-4-3-6-19-5-1-2-7-22(19)33-17-18-34-24(25)32/h1-2,5,7-11H,3-4,6,12-18H2 | 4 | ||||
| 84 | 33 | 30 | 408.204907376 | O=C(c1ccncc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H28N2O4/c27-22(20-8-13-25-14-9-20)26-15-11-24(12-16-26)10-4-3-6-19-5-1-2-7-21(19)29-17-18-30-23(24)28/h1-2,5,7-9,13-14H,3-4,6,10-12,15-18H2 | 4 | ||||
| 85 | 35 | 32 | 438.21547205999997 | COc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)cn1 | InChI=1S/C25H30N2O5/c1-30-22-10-9-20(18-26-22)23(28)27-14-12-25(13-15-27)11-5-4-7-19-6-2-3-8-21(19)31-16-17-32-24(25)29/h2-3,6,8-10,18H,4-5,7,11-17H2,1H3 | 4 | ||||
| 86 | 33 | 30 | 409.20015634400005 | O=C(c1ncccn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H27N3O4/c27-21(20-24-12-5-13-25-20)26-14-10-23(11-15-26)9-4-3-7-18-6-1-2-8-19(18)29-16-17-30-22(23)28/h1-2,5-6,8,12-13H,3-4,7,9-11,14-17H2 | 4 | ||||
| 87 | 33 | 30 | 409.20015634400005 | O=C(c1ccncn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H27N3O4/c27-21(19-8-12-24-17-25-19)26-13-10-23(11-14-26)9-4-3-6-18-5-1-2-7-20(18)29-15-16-30-22(23)28/h1-2,5,7-8,12,17H,3-4,6,9-11,13-16H2 | 4 | ||||
| 88 | 34 | 31 | 424.19982199599997 | O=C(c1ccc(=O)[nH]c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H28N2O5/c27-21-9-8-19(17-25-21)22(28)26-13-11-24(12-14-26)10-4-3-6-18-5-1-2-7-20(18)30-15-16-31-23(24)29/h1-2,5,7-9,17H,3-4,6,10-16H2,(H,25,27) | 4 | ||||
| 89 | 33 | 30 | 429.172227344 | Nc1nc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)cs1 | InChI=1S/C22H27N3O4S/c23-21-24-17(15-30-21)19(26)25-11-9-22(10-12-25)8-4-3-6-16-5-1-2-7-18(16)28-13-14-29-20(22)27/h1-2,5,7,15H,3-4,6,8-14H2,(H2,23,24) | 4 | ||||
| 90 | 34 | 31 | 423.21580640800005 | Nc1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)n1 | InChI=1S/C24H29N3O4/c25-21-10-5-8-19(26-21)22(28)27-14-12-24(13-15-27)11-4-3-7-18-6-1-2-9-20(18)30-16-17-31-23(24)29/h1-2,5-6,8-10H,3-4,7,11-17H2,(H2,25,26) | 4 | ||||
| 91 | 34 | 31 | 424.211055376 | Nc1nccnc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H28N4O4/c24-20-19(25-11-12-26-20)21(28)27-13-9-23(10-14-27)8-4-3-6-17-5-1-2-7-18(17)30-15-16-31-22(23)29/h1-2,5,7,11-12H,3-4,6,8-10,13-16H2,(H2,24,26) | 4 | ||||
| 92 | 34 | 31 | 423.21580640800005 | Nc1cc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)ccn1 | InChI=1S/C24H29N3O4/c25-21-17-19(8-12-26-21)22(28)27-13-10-24(11-14-27)9-4-3-6-18-5-1-2-7-20(18)30-15-16-31-23(24)29/h1-2,5,7-8,12,17H,3-4,6,9-11,13-16H2,(H2,25,26) | 4 | ||||
| 93 | 37 | 33 | 446.22055744 | O=C(c1ccc2[nH]ccc2c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H30N2O4/c30-25(22-8-9-23-21(19-22)10-14-28-23)29-15-12-27(13-16-29)11-4-3-6-20-5-1-2-7-24(20)32-17-18-33-26(27)31/h1-2,5,7-10,14,19,28H,3-4,6,11-13,15-18H2 | 5 | ||||
| 94 | 39 | 35 | 474.251857568 | Cn1cc(CC(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c2ccccc21 | InChI=1S/C29H34N2O4/c1-30-21-23(24-10-3-4-11-25(24)30)20-27(32)31-16-14-29(15-17-31)13-7-6-9-22-8-2-5-12-26(22)34-18-19-35-28(29)33/h2-5,8,10-12,21H,6-7,9,13-20H2,1H3 | 5 | ||||
| 95 | 31 | 29 | 403.19948764800006 | O=C(O)CCC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H29NO6/c24-19(8-9-20(25)26)23-13-11-22(12-14-23)10-4-3-6-17-5-1-2-7-18(17)28-15-16-29-21(22)27/h1-2,5,7H,3-4,6,8-16H2,(H,25,26) | 3 | ||||
| 96 | 33 | 35 | 612.948874492 | CSC1=NN=Cc2cccc3c2[O][Cu][O]c2c(cccc2C(=O)[O][Cu][O]C3=O)C=N1.O.O.O.O.O | InChI=1S/C18H15N3O6S.2Cu.5H2O/c1-28-18(19-8-10-4-2-6-12(14(10)22)16(24)25)21-20-9-11-5-3-7-13(15(11)23)17(26)27;;;;;;;/h2-9,22-23H,1H3,(H,24,25)(H,26,27);;;5*1H2/q;2*+2;;;;;/p-4 | 4 | ||||
| 97 | 26 | 24 | 333.157622836 | C=C1C/C(=C\C)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23 | InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+ | 3 | ||||
| 98 | 42 | 39 | 528.251188872 | Cc1ccc(C(C)C)c2c1C(=O)Oc1c(C(C)C)ccc(C)c1C(=O)Oc1c(C(C)C)ccc(C)c1C(=O)O2 | InChI=1S/C33H36O6/c1-16(2)22-13-10-19(7)25-28(22)37-32(35)26-20(8)11-14-23(17(3)4)29(26)39-33(36)27-21(9)12-15-24(18(5)6)30(27)38-31(25)34/h10-18H,1-9H3 | 4 | ||||
| 99 | 32 | 31 | 441.199881572 | CC(=O)O[C@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)[C@@](O)([C@H](C)O)C[C@@H]1C)C2=O | InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/t12-,13-,16+,20-,21-/m0/s1 | 2 | ||||
| 100 | 32 | 31 | 441.199881572 | CC(=O)O[C@@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)[C@@](O)([C@@H](C)O)C[C@H]1C)C2=O | InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/t12-,13-,16-,20-,21+/m1/s1 | 2 | ||||
| 101 | 30 | 28 | 381.1787522039999 | [H][C@@]1(C)O[C@@]12C[C@@H](C)[C@@](C)(O)C(=O)OCC1=CCN(C)CC[C@@H](OC2=O)C1=O | InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/t11-,12+,14-,18-,19+/m1/s1 | 3 | ||||
| 102 | 26 | 24 | 337.18892296399997 | C/C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23 | InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4- | 3 | ||||
| 103 | 28 | 26 | 351.16818751999995 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)C[C@H](C)[C@](O)(CO)C(=O)OC3 | InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14+,15+,18+/m0/s1 | 3 | ||||
| 104 | 36 | 35 | 441.19988157200004 | [H]C1([H])[C@@]([H])(C)[C@@](C)(OC(C)=O)C(=O)OC/C2=C/CN(C)CCC(OC(=O)[C@@]1(O)[C@]([H])(C)O)C2=O | InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13+,16?,20-,21+/m1/s1 | 2 | ||||
| 105 | 33 | 31 | 381.1787522040001 | [H]C1(C)C([H])([H])[C@@]2(O[C@@]2([H])C)C(=O)OC2CCN(C)C/C=C(/COC(=O)[C@@]1(C)O)C2=O | InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11?,12-,14?,18-,19-/m0/s1 | 3 | ||||
| 106 | 35 | 34 | 441.199881572 | [H]C1([H])[C@](O)(C(C)O)C(=O)OC2CCN(C)C/C=C(/COC(=O)[C@@](C)(OC(C)=O)[C@]1([H])C)C2=O | InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13?,16?,20+,21+/m1/s1 | 2 | ||||
| 107 | 30 | 28 | 381.178752204 | [H][C@]1(C)O[C@@]12C[C@@H](C)C(C)(O)C(=O)OC/C1=C/CN(C)CCC(OC2=O)C1=O | InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14?,18?,19+/m1/s1 | 3 | ||||
| 108 | 26 | 24 | 333.157622836 | C=C1CC(=CC)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23 | InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3 | 3 | ||||
| 109 | 28 | 26 | 351.16818751999995 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)C(=CC)C[C@@H](C)[C@](O)(CO)C(=O)OC3 | InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14-,15-,18-/m1/s1 | 3 | ||||
| 110 | 36 | 35 | 487.20536087599993 | O=C(O)C(O)C(O)C(=O)O.[H]C12C3CCN1CCC2OC(=O)C(=CC)CC(C)C(C)(O)C(=O)OC3 | InChI=1S/C18H27NO5.C4H6O6/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20;5-1(3(7)8)2(6)4(9)10/h4,11,13-15,22H,5-10H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10) | 3 | ||||
| 111 | 22 | 21 | 290.115423676 | CC1CCCC=CC(=O)c2c(O)cc(O)cc2CC(=O)O1 | InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3 | 2 | ||||
| 112 | 31 | 29 | 401.2566086 | CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CC(O)CCC1 | InChI=1S/C24H35NO4/c1-14(2)11-20-22-17(5)16(4)13-18-12-15(3)7-6-8-19(26)9-10-21(27)29-24(18,22)23(28)25-20/h9-10,12-14,17-20,22,26H,6-8,11H2,1-5H3,(H,25,28) | 3 | ||||
| 113 | 32 | 30 | 417.25152321999997 | CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CC(O)C(O)CC1 | InChI=1S/C24H35NO5/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)30-24(17,22)23(29)25-18/h8-9,11-13,16-20,22,26-27H,6-7,10H2,1-5H3,(H,25,29) | 3 | ||||
| 114 | 22 | 21 | 292.13107374 | CC1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1 | InChI=1S/C16H20O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h7,9-10,17,19H,2-6,8H2,1H3 | 2 | ||||
| 115 | 24 | 22 | 306.110338296 | CC1CCCC2OC2C(=O)c2c(O)cc(O)cc2CC(=O)O1 | InChI=1S/C16H18O6/c1-8-3-2-4-12-16(22-12)15(20)14-9(6-13(19)21-8)5-10(17)7-11(14)18/h5,7-8,12,16-18H,2-4,6H2,1H3 | 3 | ||||
| 116 | 23 | 22 | 308.12598835999995 | CC1CCCC(O)CC(=O)Cc2cc(O)cc(O)c2C(=O)O1 | InChI=1S/C16H20O6/c1-9-3-2-4-11(17)7-12(18)5-10-6-13(19)8-14(20)15(10)16(21)22-9/h6,8-9,11,17,19-20H,2-5,7H2,1H3 | 2 | ||||
| 117 | 38 | 35 | 509.1199305979998 | C[C@@H]1N[P@@](=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2OC(=O)[C@H](C)OC1=O | InChI=1S/C21H24N3O10P/c1-12-19(26)31-13(2)20(27)33-15-10-18(24-9-8-17(25)22-21(24)28)32-16(15)11-30-35(29,23-12)34-14-6-4-3-5-7-14/h3-9,12-13,15-16,18H,10-11H2,1-2H3,(H,23,29)(H,22,25,28)/t12-,13-,15-,16+,18+,35-/m0/s1 | 4 | ||||
| 118 | 40 | 37 | 541.1261588499999 | C[C@@H]1N[P@@](=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(F)[C@@H]2OC(=O)[C@H](C)OC1=O | InChI=1S/C22H25FN3O10P/c1-12-18(28)33-13(2)19(29)35-17-15(11-32-37(31,25-12)36-14-7-5-4-6-8-14)34-20(22(17,3)23)26-10-9-16(27)24-21(26)30/h4-10,12-13,15,17,20H,11H2,1-3H3,(H,25,31)(H,24,27,30)/t12-,13-,15+,17+,20+,22+,37-/m0/s1 | 4 | ||||
| 119 | 76 | 68 | 952.0817956360003 | O=C1O[C@@H]2[C@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]3OC(=O)c2cc(O)c(O)c3c2C2C1=CC(=O)C(O)(O3)C2(O)O | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30-,32+,33-,39-,41?/m0/s1 | 9 | ||||
| 120 | 75 | 68 | 954.0974457000003 | O=C(O)C[C@@H]1C(=O)O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@H]1[C@H](O)C(=O)O3 | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31+,33-,34+,41-/m0/s1 | 8 | ||||
| 121 | 76 | 68 | 952.0817956360002 | O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]3OC(=O)c2cc(O)c(O)c3c2C2C1=CC(=O)C(O)(O3)C2(O)O | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30-,32+,33+,39+,41?/m1/s1 | 9 | ||||
| 122 | 33 | 32 | 441.1998815719999 | [H][C@@]1(C)C[C@](O)(C(C)O)C(=O)OC2CCN(C)CC=C(COC(=O)[C@@]1(C)OC(C)=O)C2=O | InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/t12-,13?,16?,20+,21+/m1/s1 | 2 | ||||
| 123 | 36 | 35 | 487.2053608759998 | O=C(O)C(O)C(O)C(=O)O.[H]C12C3CCN1CCC2OC(=O)C(=CC)CC(C)C(C)(O)C(=O)OC3 | InChI=1S/C18H27NO5.C4H6O6/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20;5-1(3(7)8)2(6)4(9)10/h4,11,13-15,22H,5-10H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10) | 3 | ||||
| 124 | 23 | 21 | 290.11542367600003 | CC1CCCC2CC(=O)c3c(cc(O)cc3O2)CC(=O)O1 | InChI=1S/C16H18O5/c1-9-3-2-4-12-8-13(18)16-10(6-15(19)20-9)5-11(17)7-14(16)21-12/h5,7,9,12,17H,2-4,6,8H2,1H3 | 4 | ||||
| 125 | 51 | 48 | 669.1442171639999 | O=C(N[C@H]1COC(=O)[C@@H](NC(=O)c2cccc(O)c2O)COC(=O)[C@@H](NC(=O)c2cccc(O)c2O)COC1=O)c1cccc(O)c1O | InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1 | 4 | ||||
| 126 | 77 | 69 | 952.0817956360002 | [H][C@@]12C3=CC(=O)C(O)(O)[C@]1(O)Oc1c(O)c(O)cc(c12)C(=O)OC1C(OC(=O)c2cc(O)c(O)c(O)c2)OC2COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC1C2OC3=O | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18?,23-,30?,32?,33?,39?,41+/m0/s1 | 9 | ||||
| 127 | 34 | 33 | 441.199881572 | [H][C@@](C)(O)[C@@]1(O)C[C@@]([H])(C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O | InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/t12-,13+,16?,20-,21+/m1/s1 | 2 | ||||
| 128 | 31 | 29 | 381.178752204 | [H]C1(C)C[C@@]2(O[C@@]2([H])C)C(=O)OC2CCN(C)CC=C(COC(=O)C1(C)O)C2=O | InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/t11?,12-,14?,18?,19-/m0/s1 | 3 | ||||
| 129 | 30 | 28 | 367.16310214000003 | [H][C@]12CC[N+]3([O-])CC=C(COC(=O)[C@@](O)(CO)[C@H](C)C/C(=C\C)C(=O)O1)[C@]23[H] | InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14-,15-,18-,19?/m1/s1 | 3 | ||||
| 130 | 52 | 48 | 590.3454831799999 | [H]C1(OC2CC3([H])C=CC4([H])C5([H])CC(=O)OC(CC)CCCC(O)C(C)C(=O)C5=CC4([H])C3([H])C2)OC(C)C(OC)C(OC)C1OC | InChI=1S/C33H50O9/c1-7-20-9-8-10-27(34)17(2)29(36)26-15-24-22(25(26)16-28(35)41-20)12-11-19-13-21(14-23(19)24)42-33-32(39-6)31(38-5)30(37-4)18(3)40-33/h11-12,15,17-25,27,30-34H,7-10,13-14,16H2,1-6H3 | 5 | ||||
| 131 | 64 | 59 | 731.46084728 | [H]C1(OC2CCCC(CC)OC(=O)CC3([H])C(=CC4([H])C3([H])C=CC3([H])CC(OC5([H])OC(C)C(OC)C(OC)C5OC)CC34[H])C(=O)C2C)CCC(N(C)C)C(C)O1 | InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3 | 6 | ||||
| 132 | 65 | 60 | 745.476497344 | [H]C1(OC2CCCC(CC)OC(=O)CC3([H])C(=CC4([H])C3([H])C=C(C)C3([H])CC(OC5([H])OC(C)C(OC)C(OC)C5OC)CC34[H])C(=O)C2C)CCC(N(C)C)C(C)O1 | InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3 | 6 | ||||
| 133 | 26 | 24 | 335.17327290000003 | CC=C1CC(C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23 | InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3 | 3 | ||||
| 134 | 58 | 53 | 747.4921474079999 | CCOC1C(OC)C(C)OC(OC2CC3CCC4C5CC(=O)OC(CC)CCCC(OC6CCC(N(C)C)C(C)O6)C(C)C(=O)C5=CC4C3C2)C1OC | InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3 | 6 | ||||
| 135 | 53 | 49 | 606.376783308 | [H]C1(OC2CC3([H])CCC4([H])C5([H])CC(=O)OC(CC)CCCC(O)C(C)C(=O)C5=CC4([H])C3([H])C2)OC(C)C(OC)C(OCC)C1OC | InChI=1S/C34H54O9/c1-7-21-10-9-11-28(35)18(3)30(37)27-16-25-23(26(27)17-29(36)42-21)13-12-20-14-22(15-24(20)25)43-34-33(39-6)32(40-8-2)31(38-5)19(4)41-34/h16,18-26,28,31-35H,7-15,17H2,1-6H3 | 5 | ||||
| 136 | 54 | 50 | 715.4506765199999 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C3(O2)OC1(C)C(O)C3C | InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3 | 5 | ||||
| 137 | 37 | 34 | 402.240624188 | [H]C12C=CC3([H])C4([H])CC(=O)OC(CC)CCCC(O)C(C)C(=O)C4=CC3([H])C1([H])CC(O)C2 | InChI=1S/C24H34O5/c1-3-16-5-4-6-22(26)13(2)24(28)21-11-19-17(20(21)12-23(27)29-16)8-7-14-9-15(25)10-18(14)19/h7-8,11,13-20,22,25-26H,3-6,9-10,12H2,1-2H3 | 4 | ||||
| 138 | 22 | 21 | 290.115423676 | CC1CCCC=CC(=O)c2c(O)cc(O)cc2CC(=O)O1 | InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3 | 2 | ||||
| 139 | 66 | 61 | 759.492147408 | [H]C1(OC2CCCC(CC)OC(=O)CC3([H])C(=CC4([H])C3([H])C=C(C)C3([H])CC(OC5([H])OC(C)C(OC)C(OCC)C5OC)CC34[H])C(=O)C2C)CCC(N(C)C)C(C)O1 | InChI=1S/C43H69NO10/c1-11-27-14-13-15-36(54-38-17-16-35(44(7)8)25(5)50-38)24(4)39(46)34-21-32-30(33(34)22-37(45)52-27)18-23(3)29-19-28(20-31(29)32)53-43-42(48-10)41(49-12-2)40(47-9)26(6)51-43/h18,21,24-33,35-36,38,40-43H,11-17,19-20,22H2,1-10H3 | 6 | ||||
| 140 | 57 | 52 | 731.4608472799999 | CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 | InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1 | 6 | ||||
| 141 | 27 | 25 | 351.16818752 | CC=C1CC(C)C(C)(O)C(=O)OCC2=CC[N+]3([O-])CCC(OC1=O)C23 | InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3 | 3 | ||||
| 142 | 36 | 32 | 435.20457302799997 | COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@H]3CCCCN31)OC(=O)C=Cc1ccc(O)c-2c1 | InChI=1S/C26H29NO5/c1-30-24-14-19-20(15-25(24)31-2)22-13-18(12-17-5-3-4-10-27(17)22)32-26(29)9-7-16-6-8-23(28)21(19)11-16/h6-9,11,14-15,17-18,22,28H,3-5,10,12-13H2,1-2H3/t17-,18+,22+/m1/s1 | 5 | ||||
| 143 | 33 | 30 | 416.2562742519999 | CC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C(C)[C@@H]4C[C@@H](O)C[C@@H]34)[C@@H]2CC(=O)O1 | InChI=1S/C25H36O5/c1-4-16-6-5-7-23(27)14(3)25(29)22-11-20-18(21(22)12-24(28)30-16)8-13(2)17-9-15(26)10-19(17)20/h8,11,14-21,23,26-27H,4-7,9-10,12H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-,21+,23+/m1/s1 | 4 | ||||
| 144 | 59 | 54 | 759.492147408 | CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@H]2C[C@H]3[C@@H]4C=C5C(=O)[C@H](C)[C@@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)CCC[C@H](CC)OC(=O)C[C@H]5[C@@H]4C=C(C)[C@@H]3C2)[C@@H]1OC | InChI=1S/C43H69NO10/c1-11-27-14-13-15-36(54-38-17-16-35(44(7)8)25(5)50-38)24(4)39(46)34-21-32-30(33(34)22-37(45)52-27)18-23(3)29-19-28(20-31(29)32)53-43-42(48-10)41(49-12-2)40(47-9)26(6)51-43/h18,21,24-33,35-36,38,40-43H,11-17,19-20,22H2,1-10H3/t24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,35+,36+,38+,40+,41-,42-,43+/m1/s1 | 6 | ||||
| 145 | 54 | 50 | 715.45067652 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)[C@@]3(O[C@]1(C)[C@H](O)[C@H]3C)O2 | InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36+,37+/m1/s1 | 5 | ||||
| 146 | 47 | 43 | 604.361133244 | CC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C(C)[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 | InChI=1S/C34H52O9/c1-8-20-10-9-11-28(35)18(3)30(37)27-15-25-23(26(27)16-29(36)42-20)12-17(2)22-13-21(14-24(22)25)43-34-33(40-7)32(39-6)31(38-5)19(4)41-34/h12,15,18-26,28,31-35H,8-11,13-14,16H2,1-7H3/t18-,19+,20+,21-,22+,23-,24-,25-,26+,28+,31+,32-,33-,34+/m1/s1 | 5 | ||||
| 147 | 32 | 29 | 402.2406241879999 | CC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O)C[C@@H]34)[C@@H]2CC(=O)O1 | InChI=1S/C24H34O5/c1-3-16-5-4-6-22(26)13(2)24(28)21-11-19-17(20(21)12-23(27)29-16)8-7-14-9-15(25)10-18(14)19/h7-8,11,13-20,22,25-26H,3-6,9-10,12H2,1-2H3/t13-,14-,15-,16+,17-,18-,19-,20+,22+/m1/s1 | 4 | ||||
| 148 | 27 | 25 | 351.16818752 | CC=C1C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11-,14-,15-,18-,19?/m1/s1 | 3 | ||||
| 149 | 34 | 32 | 454.16593502399996 | O=C(C[C@@H]1CC=CCCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1 | InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-23(29)15-20-9-5-2-6-10-24(30)32-22(17-28-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,29)(H,28,31)/t20-,22-/m0/s1 | 3 | ||||
| 150 | 28 | 26 | 367.16310214 | CC=C1CC(C)C(O)(CO)C(=O)OCC2=CC[N+]3([O-])CCC(OC1=O)C23 | InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3 | 3 | ||||
| 151 | 51 | 48 | 669.144217164 | O=C(NC1COC(=O)C(NC(=O)c2cccc(O)c2O)COC(=O)C(NC(=O)c2cccc(O)c2O)COC1=O)c1cccc(O)c1O | InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42) | 4 | ||||
| 152 | 27 | 26 | 365.183837584 | CC=C1CC(C)C(C)(O)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O | InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3 | 2 | ||||
| 153 | 28 | 26 | 369.178752204 | CC1CC(O)(C(C)O)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23 | InChI=1S/C18H27NO7/c1-10-8-18(24,11(2)20)16(22)26-13-5-7-19-6-4-12(14(13)19)9-25-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3 | 3 | ||||
| 154 | 27 | 25 | 349.152537456 | C=C1CC(=CC)C(=O)OC2CC[N+]3([O-])CC=C(COC(=O)C1(C)O)C23 | InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3 | 3 | ||||
| 155 | 75 | 68 | 954.0974457000003 | O=C(O)CC1C(=O)O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2C1C(O)C(=O)O3 | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12?,18-,22?,30?,31-,33+,34-,41-/m1/s1 | 8 | ||||
| 156 | 27 | 25 | 349.152537456 | C=C1CC(=CC)C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23 | InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/t14-,15-,18-,19?/m1/s1 | 3 | ||||
| 157 | 28 | 25 | 351.16818751999995 | C[C@@H]1C[C@@]2(O[C@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 | InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1 | 4 | ||||
| 158 | 29 | 27 | 375.16818752 | C=C1CC(=CC)C(=O)OC2CCN3CC=C(COC(=O)C1(C)OC(C)=O)C23 | InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3 | 3 | ||||
| 159 | 54 | 50 | 715.45067652 | CCC1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)[C@]3(O2)O[C@@]1(C)[C@H](O)[C@H]3C | InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25?,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-,37+/m1/s1 | 5 | ||||
| 160 | 17 | 16 | 220.073558864 | O=C1OCCCCOC(=O)c2ccc1cc2 | InChI=1S/C12H12O4/c13-11-9-3-5-10(6-4-9)12(14)16-8-2-1-7-15-11/h3-6H,1-2,7-8H2 | 3 | ||||
| 161 | 75 | 68 | 954.0974457000003 | O=C(O)CC1C(=O)O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@H]1C(O)C(=O)O3 | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12?,18-,22+,30?,31-,33+,34-,41+/m1/s1 | 8 | ||||
| 162 | 27 | 25 | 351.16818752 | CC=C1CC(C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11?,14-,15-,18-,19?/m1/s1 | 3 | ||||
| 163 | 71 | 65 | 874.1592581080002 | [H][C@@]12COC(=O)c3cc(O)c(O)c(O)c3-c3cc(c(O)c(O)c3O)C(=O)O[C@@]1([H])[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H](Oc1cc(O)c(C(=O)CCc3ccccc3)c(O)c1)O2 | InChI=1S/C42H34O21/c43-21(7-6-15-4-2-1-3-5-15)29-22(44)10-17(11-23(29)45)60-42-36(55)38(63-39(56)16-8-24(46)32(51)25(47)9-16)37-27(61-42)14-59-40(57)19-13-26(48)33(52)34(53)28(19)18-12-20(41(58)62-37)31(50)35(54)30(18)49/h1-5,8-13,27,36-38,42,44-55H,6-7,14H2/t27-,36-,37-,38-,42-/m1/s1 | 7 | ||||
| 164 | 32 | 30 | 395.194402268 | [H][C@]12CCN3CC=C(COC(=O)[C@@](C)(OC(C)=O)[C@H](C)C[C@](O)(CC)C(=O)O1)[C@@]32[H] | InChI=1S/C20H29NO7/c1-5-20(25)10-12(2)19(4,28-13(3)22)17(23)26-11-14-6-8-21-9-7-15(16(14)21)27-18(20)24/h6,12,15-16,25H,5,7-11H2,1-4H3/t12-,15-,16-,19+,20-/m1/s1 | 3 | ||||
| 165 | 35 | 31 | 421.18892296399997 | COc1ccc2c(c1O)-c1cc(ccc1O)C=CC(=O)O[C@H]1C[C@H]3CCCCN3[C@H]2C1 | InChI=1S/C25H27NO5/c1-30-22-9-7-18-20-14-17(13-16-4-2-3-11-26(16)20)31-23(28)10-6-15-5-8-21(27)19(12-15)24(18)25(22)29/h5-10,12,16-17,20,27,29H,2-4,11,13-14H2,1H3/t16-,17+,20+/m1/s1 | 5 | ||||
| 166 | 41 | 39 | 540.222013984 | CCC(C)=C1OC(=O)C(C)C(O)C(Cc2cccnc2)NC(=O)C(NC(=O)c2ncccc2O)C(C)OC1=O | InChI=1S/C27H32N4O8/c1-5-14(2)23-27(37)38-16(4)20(31-25(35)21-19(32)9-7-11-29-21)24(34)30-18(12-17-8-6-10-28-13-17)22(33)15(3)26(36)39-23/h6-11,13,15-16,18,20,22,32-33H,5,12H2,1-4H3,(H,30,34)(H,31,35) | 3 | ||||
| 167 | 57 | 52 | 731.46084728 | CC[C@H]1CCCC(O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 | InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41+/m1/s1 | 6 | ||||
| 168 | 34 | 32 | 454.1659350239999 | O=C(CC1CC=CCCC(=O)OC(c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1 | InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-23(29)15-20-9-5-2-6-10-24(30)32-22(17-28-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,29)(H,28,31) | 3 | ||||
| 169 | 26 | 24 | 335.1732729 | C=C1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@H]1C)[C@H]23 | InChI=1S/C18H25NO5/c1-10-11(2)16(20)24-14-6-8-19-7-5-13(15(14)19)9-23-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10-,12+,14+,15+,18+/m0/s1 | 3 | ||||
| 170 | 26 | 24 | 333.157622836 | CC=C1C=C(C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23 | InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,9,14-15,22H,6-8,10H2,1-3H3 | 3 | ||||
| 171 | 125 | 115 | 1476.937344624 | [H]C12C=CC3([H])C4([H])CC(=O)OC(CC)CCCC(OC5CCC(N(C)C)C(C)O5)C(C)C(=O)C4=CC3([H])C1([H])CC(OC1OC(C)C(OC)C(OC)C1OC)C2.[H]C12CC(=O)OC(CC)CCCC(OC3CCC(N(C)C)C(C)O3)C(C)C(=O)C1=CC1([H])C2([H])C=C(C)C2([H])CC(OC3OC(C)C(OC)C(OC)C3OC)CC21[H] | InChI=1S/C42H67NO10.C41H65NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42;1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3;14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3 | 12 | ||||
| 172 | 75 | 69 | 972.1080103840002 | O=C(O)CC(C(=O)O[C@H]1[C@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC[C@H]1O[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]2O)C1c2c(cc(O)c(O)c2O)C(=O)OC1C(=O)O | InChI=1S/C41H32O28/c42-13-1-8(2-14(43)24(13)49)36(59)69-41-31(56)34-32(66-40(63)12(6-19(47)48)23-22-11(5-17(46)27(52)30(22)55)38(61)67-33(23)35(57)58)18(65-41)7-64-37(60)9-3-15(44)25(50)28(53)20(9)21-10(39(62)68-34)4-16(45)26(51)29(21)54/h1-5,12,18,23,31-34,41-46,49-56H,6-7H2,(H,47,48)(H,57,58)/t12?,18-,23?,31+,32-,33?,34+,41+/m1/s1 | 7 | ||||
| 173 | 29 | 27 | 377.183837584 | CC=C1C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C20H27NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,12,16-17H,7-11H2,1-4H3/t12-,16-,17-,20-/m1/s1 | 3 | ||||
| 174 | 41 | 39 | 540.2220139839999 | CC/C(C)=C1\OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O | InChI=1S/C27H32N4O8/c1-5-14(2)23-27(37)38-16(4)20(31-25(35)21-19(32)9-7-11-29-21)24(34)30-18(12-17-8-6-10-28-13-17)22(33)15(3)26(36)39-23/h6-11,13,15-16,18,20,22,32-33H,5,12H2,1-4H3,(H,30,34)(H,31,35)/b23-14-/t15-,16-,18+,20+,22+/m1/s1 | 3 | ||||
| 175 | 22 | 21 | 290.115423676 | C[C@H]1CCCC=CC(=O)c2c(O)cc(O)cc2CC(=O)O1 | InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/t10-/m0/s1 | 2 | ||||
| 176 | 27 | 25 | 351.16818752 | C/C=C1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3([O-])CCC(OC1=O)C23 | InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+ | 3 | ||||
| 177 | 26 | 24 | 333.157622836 | C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 | InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1 | 3 | ||||
| 178 | 27 | 25 | 353.183837584 | CC=C1CC(C)C(C)(O)C(=O)OCC2C(O)CN3CCC(OC1=O)C23 | InChI=1S/C18H27NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,10,12-15,20,23H,5-9H2,1-3H3 | 3 | ||||
| 179 | 30 | 26 | 365.14745207600004 | CC1OCC23CC1(O)C(=O)OC1CCN4CC=C(COC(=O)C2(C)O3)C14 | InChI=1S/C18H23NO7/c1-10-18(22)8-17(9-24-10)16(2,26-17)14(20)23-7-11-3-5-19-6-4-12(13(11)19)25-15(18)21/h3,10,12-13,22H,4-9H2,1-2H3 | 5 | ||||
| 180 | 25 | 23 | 321.15762283600003 | CC=C1CC(C)C(O)C(=O)OCC2=C3C(CCN3CC2)OC1=O | InChI=1S/C17H23NO5/c1-3-11-8-10(2)15(19)17(21)22-9-12-4-6-18-7-5-13(14(12)18)23-16(11)20/h3,10,13,15,19H,4-9H2,1-2H3 | 3 | ||||
| 181 | 28 | 26 | 365.147452076 | C=C1CC(=CC)C(=O)OC2CC[N+]3([O-])CC=C(COC(=O)C1(O)CO)C23 | InChI=1S/C18H23NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3 | 3 | ||||
| 182 | 27 | 25 | 351.16818752 | CC=C1CC(C)C(C)(O)C(=O)OCC2=CCN3CC(O)C(OC1=O)C23 | InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3 | 3 | ||||
| 183 | 30 | 28 | 389.147452076 | CC=C1CC(C)C(C)(OC(C)=O)C(=O)OCc2ccn3c2C(CC3=O)OC1=O | InChI=1S/C20H23NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-6-7-21-16(23)9-15(17(14)21)27-18(13)24/h5-7,11,15H,8-10H2,1-4H3 | 3 | ||||
| 184 | 28 | 25 | 349.15253745599995 | CC=C1CC2(CO)OC2(C)C(=O)OCC2=CCN3CCC(OC1=O)C23 | InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3 | 4 | ||||
| 185 | 28 | 26 | 369.178752204 | CC1C(C)C(O)(CO)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23 | InChI=1S/C18H27NO7/c1-10-11(2)18(24,9-20)16(22)26-13-5-7-19-6-4-12(14(13)19)8-25-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3 | 3 | ||||
| 186 | 29 | 26 | 365.1474520759999 | CC=C1CC2(CO)OC2(C)C(=O)OCC2=CC[N+]3([O-])CCC(OC1=O)C23 | InChI=1S/C18H23NO7/c1-3-11-8-18(10-20)17(2,26-18)16(22)24-9-12-4-6-19(23)7-5-13(14(12)19)25-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3 | 4 | ||||
| 187 | 29 | 26 | 367.16310214 | CC1CC2(OC2C)C(=O)OC2CC[N+]3([O-])CC=C(COC(=O)C1(C)O)C23 | InChI=1S/C18H25NO7/c1-10-8-18(11(2)26-18)16(21)25-13-5-7-19(23)6-4-12(14(13)19)9-24-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3 | 4 | ||||
| 188 | 74 | 66 | 926.1025310800002 | O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC3C2OC(=O)C2(O)CC(O)C4(O)Oc5c(O)c(O)cc(c5C24)C(=O)OC13)c1cc(O)c(O)c(O)c1 | InChI=1S/C40H30O26/c41-12-1-8(2-13(42)22(12)47)33(53)65-37-31-30-28(64-38(57)39(58)6-18(46)40(59)32(39)21-11(36(56)63-31)5-16(45)25(50)29(21)66-40)17(61-37)7-60-34(54)9-3-14(43)23(48)26(51)19(9)20-10(35(55)62-30)4-15(44)24(49)27(20)52/h1-5,17-18,28,30-32,37,41-52,58-59H,6-7H2 | 9 | ||||
| 189 | 26 | 24 | 335.1732729 | C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1 | 3 | ||||
| 190 | 27 | 25 | 351.16818751999995 | C/C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14-,15-,18-/m1/s1 | 3 | ||||
| 191 | 36 | 32 | 435.20457302799997 | COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)C=Cc1ccc(O)c-2c1 | InChI=1S/C26H29NO5/c1-30-24-14-19-20(15-25(24)31-2)22-13-18(12-17-5-3-4-10-27(17)22)32-26(29)9-7-16-6-8-23(28)21(19)11-16/h6-9,11,14-15,17-18,22,28H,3-5,10,12-13H2,1-2H3/t17-,18-,22-/m0/s1 | 5 | ||||
| 192 | 27 | 24 | 337.188922964 | CC1CC2(C)CC(=O)OC3CCN4CCC(COC(=O)C1(C)O2)C34 | InChI=1S/C18H27NO5/c1-11-8-17(2)9-14(20)23-13-5-7-19-6-4-12(15(13)19)10-22-16(21)18(11,3)24-17/h11-13,15H,4-10H2,1-3H3 | 4 | ||||
| 193 | 31 | 29 | 405.178752204 | C=CC1=CC(C)C(C)(OC(C)=O)C(=O)OCC2=CC[N+]3(C)CCC(OC1=O)C23[O-] | InChI=1S/C21H27NO7/c1-6-15-11-13(2)20(4,29-14(3)23)19(25)27-12-16-7-9-22(5)10-8-17(21(16,22)26)28-18(15)24/h6-7,11,13,17H,1,8-10,12H2,2-5H3 | 3 | ||||
| 194 | 30 | 28 | 389.1474520759999 | C=C1C(=O)OC2CC(=O)n3ccc(c32)COC(=O)C(C)(OC(C)=O)C(C)C1C | InChI=1S/C20H23NO7/c1-10-11(2)18(24)27-15-8-16(23)21-7-6-14(17(15)21)9-26-19(25)20(5,12(10)3)28-13(4)22/h6-7,10,12,15H,2,8-9H2,1,3-5H3 | 3 | ||||
| 195 | 28 | 27 | 383.194402268 | CCC1C(=O)OC2CCN(C)CC=C(COC(=O)C(C)(O)C(C)C1O)C2=O | InChI=1S/C19H29NO7/c1-5-13-15(21)11(2)19(3,25)18(24)26-10-12-6-8-20(4)9-7-14(16(12)22)27-17(13)23/h6,11,13-15,21,25H,5,7-10H2,1-4H3 | 2 | ||||
| 196 | 26 | 24 | 335.1732729 | C=C1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C(C)C1C)C23 | InChI=1S/C18H25NO5/c1-10-11(2)16(20)24-14-6-8-19-7-5-13(15(14)19)9-23-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3 | 3 | ||||
| 197 | 25 | 23 | 323.1732729 | CC1C(=O)OC2CCN3CC=C(COC(=O)C(O)C(C)C1C)C23 | InChI=1S/C17H25NO5/c1-9-10(2)15(19)17(21)22-8-12-4-6-18-7-5-13(14(12)18)23-16(20)11(9)3/h4,9-11,13-15,19H,5-8H2,1-3H3 | 3 | ||||
| 198 | 30 | 26 | 365.147452076 | CC1OC12CC1(CO1)C(C)(O)C(=O)OCC1=CCN3CCC(OC2=O)C13 | InChI=1S/C18H23NO7/c1-10-18(26-10)8-17(9-24-17)16(2,22)14(20)23-7-11-3-5-19-6-4-12(13(11)19)25-15(18)21/h3,10,12-13,22H,4-9H2,1-2H3 | 5 | ||||
| 199 | 28 | 25 | 351.16818752 | CC1CC2(OC2C)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23 | InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3 | 4 | ||||
| 200 | 28 | 27 | 381.1787522039999 | CC1CC(=CCO)C(=O)OC2CCN(C)CC=C(COC(=O)C1(C)O)C2=O | InChI=1S/C19H27NO7/c1-12-10-13(6-9-21)17(23)27-15-5-8-20(3)7-4-14(16(15)22)11-26-18(24)19(12,2)25/h4,6,12,15,21,25H,5,7-11H2,1-3H3 | 2 | ||||
| 201 | 29 | 27 | 385.1736668239999 | CC1CC(O)(C(C)O)C(=O)OC2CC[N+]3([O-])CC=C(COC(=O)C1(C)O)C23 | InChI=1S/C18H27NO8/c1-10-8-18(24,11(2)20)16(22)27-13-5-7-19(25)6-4-12(14(13)19)9-26-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3 | 3 | ||||
| 202 | 31 | 30 | 423.18931688799995 | CC(=O)OCC=C1CC(C)C(C)(O)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O | InChI=1S/C21H29NO8/c1-13-11-15(7-10-28-14(2)23)19(25)30-17-6-9-22(4)8-5-16(18(17)24)12-29-20(26)21(13,3)27/h5,7,13,17,27H,6,8-12H2,1-4H3 | 2 | ||||
| 203 | 28 | 26 | 387.1448652319999 | CC1C(C)C(O)(CCl)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23 | InChI=1S/C18H26ClNO6/c1-10-11(2)18(24,9-19)16(22)26-13-5-7-20-6-4-12(14(13)20)8-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3 | 3 | ||||
| 204 | 27 | 25 | 351.16818751999995 | C=C1C(=O)OC2CC[N+]3([O-])CC=C(COC(=O)C(C)(O)C(C)C1C)C23 | InChI=1S/C18H25NO6/c1-10-11(2)16(20)25-14-6-8-19(23)7-5-13(15(14)19)9-24-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3 | 3 | ||||
| 205 | 28 | 25 | 351.16818752 | CC1C(C)C2(CO2)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23 | InChI=1S/C18H25NO6/c1-10-11(2)18(9-24-18)16(21)25-13-5-7-19-6-4-12(14(13)19)8-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3 | 4 | ||||
| 206 | 29 | 27 | 403.1397798519999 | CC1C(C)C(O)(CCl)C(=O)OC2CC[N+]3([O-])CC=C(COC(=O)C1(C)O)C23 | InChI=1S/C18H26ClNO7/c1-10-11(2)18(24,9-19)16(22)27-13-5-7-20(25)6-4-12(14(13)20)8-26-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3 | 3 | ||||
| 207 | 27 | 25 | 349.15253745599995 | C=C1CC(=CC)C(=O)OC2CCN3CC=C(COC(=O)C1(O)CO)C23 | InChI=1S/C18H23NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3 | 3 | ||||
| 208 | 29 | 27 | 351.16818752000006 | [H][C@]12CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)C(C)C/C(=C/C)C(=O)O1)[C@]23[H] | InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11?,14-,15-,18-,19?/m1/s1 | 3 | ||||
| 209 | 29 | 26 | 349.15253745599995 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)C(=C)[C@@H](C)[C@]1(CO1)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H23NO6/c1-10-11(2)18(9-24-18)17(3,22)16(21)23-8-12-4-6-19-7-5-13(14(12)19)25-15(10)20/h4,11,13-14,22H,1,5-9H2,2-3H3/t11-,13-,14-,17+,18-/m1/s1 | 4 | ||||
| 210 | 44 | 41 | 558.2312412759998 | [H][C@@]12CC(=O)OC[C@]3([H])[C@@H](C)C[C@H](O)[C@@]3(O)[C@@H](C)COC(=O)C1=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C2=C/C | InChI=1S/C26H38O13/c1-4-13-14-6-19(29)35-10-16-11(2)5-18(28)26(16,34)12(3)8-36-23(33)15(14)9-37-24(13)39-25-22(32)21(31)20(30)17(7-27)38-25/h4,9,11-12,14,16-18,20-22,24-25,27-28,30-32,34H,5-8,10H2,1-3H3/b13-4+/t11-,12-,14-,16+,17+,18-,20+,21-,22+,24-,25-,26+/m0/s1 | 4 | ||||
| 211 | 44 | 41 | 542.2363266559997 | [H][C@]12[C@@H](C)COC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)/C(=C/C)[C@]3([H])CC(=O)OC[C@]1([H])[C@@H](C)C[C@@H]2O | InChI=1S/C26H38O12/c1-4-13-14-6-19(29)34-9-15-11(2)5-17(28)20(15)12(3)8-35-24(33)16(14)10-36-25(13)38-26-23(32)22(31)21(30)18(7-27)37-26/h4,10-12,14-15,17-18,20-23,25-28,30-32H,5-9H2,1-3H3/b13-4+/t11-,12-,14-,15+,17-,18+,20-,21+,22-,23+,25-,26-/m0/s1 | 4 | ||||
| 212 | 74 | 69 | 928.3576235600002 | [H][C@@]12[C@@H](OC(=O)C[C@]3([H])C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)/C3=C/C)C[C@H](C)[C@@]1([H])COC(=O)C[C@]1([H])C(=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)/C1=C/C)C(=O)OC[C@@H]2C | InChI=1S/C43H60O22/c1-6-19-21-9-29(46)57-14-23-17(3)8-26(31(23)18(4)13-58-39(55)25(21)16-60-40(19)64-42-36(52)34(50)32(48)27(11-44)62-42)61-30(47)10-22-20(7-2)41(59-15-24(22)38(54)56-5)65-43-37(53)35(51)33(49)28(12-45)63-43/h6-7,15-18,21-23,26-28,31-37,40-45,48-53H,8-14H2,1-5H3/b19-6+,20-7+/t17-,18-,21-,22-,23+,26-,27+,28+,31-,32+,33+,34-,35-,36+,37+,40-,41-,42-,43-/m0/s1 | 6 | ||||
| 213 | 27 | 26 | 365.18383758399995 | C=C1CC(CC)C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)C1(C)O)C2=O | InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h6,13,15,24H,2,5,7-11H2,1,3-4H3/t13?,15-,19?/m1/s1 | 2 | ||||
| 214 | 28 | 26 | 351.16818751999995 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)C[C@@H](CO)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H25NO6/c1-3-11-8-13(9-20)18(2,23)17(22)24-10-12-4-6-19-7-5-14(15(12)19)25-16(11)21/h3-4,13-15,20,23H,5-10H2,1-2H3/b11-3-/t13-,14+,15+,18+/m0/s1 | 3 | ||||
| 215 | 32 | 30 | 423.18931688799995 | CC(=O)O[C@@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)[C@]3(C[C@H]1C)O[C@@H]3C)C2=O | InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/t12-,13-,16-,20-,21-/m1/s1 | 3 | ||||
| 216 | 28 | 26 | 351.16818751999995 | [H][C@]12C3=CC[N+]1([O-])CC[C@H]2OC(=O)/C(=C\C)C[C@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14+,15+,18+,19?/m0/s1 | 3 | ||||
| 217 | 30 | 28 | 385.173666824 | [H][C@]12C3=CC[N+]1([O-])CC[C@H]2OC(=O)C(O)(CO)C(C)[C@H](C)C(C)(O)C(=O)OC3 | InChI=1S/C18H27NO8/c1-10-11(2)18(24,9-20)16(22)27-13-5-7-19(25)6-4-12(14(13)19)8-26-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3/t10-,11?,13+,14+,17?,18?,19?/m0/s1 | 3 | ||||
| 218 | 29 | 27 | 387.14486523200003 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)[C@@](O)(CCl)[C@H](C)[C@@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H26ClNO6/c1-10-11(2)18(24,9-19)16(22)26-13-5-7-20-6-4-12(14(13)20)8-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18-/m1/s1 | 3 | ||||
| 219 | 29 | 27 | 381.178752204 | C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)C23[O-] | InChI=1S/C19H27NO7/c1-4-13-9-12(2)18(24,11-21)17(23)26-10-14-5-7-20(3)8-6-15(19(14,20)25)27-16(13)22/h4-5,12,15,21,24H,6-11H2,1-3H3/b13-4-/t12-,15-,18-,19?,20?/m1/s1 | 3 | ||||
| 220 | 32 | 31 | 459.1659945999999 | CC(=O)O[C@@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)[C@@](O)(C(C)Cl)C[C@H]1C)C2=O | InChI=1S/C21H30ClNO8/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,28H,7-11H2,1-5H3/t12-,13?,16-,20-,21+/m1/s1 | 2 | ||||
| 221 | 28 | 26 | 351.16818751999995 | [H][C@]12C3=CC[N+]1([O-])CC[C@H]2OC(=O)C(=C)[C@H](C)[C@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H25NO6/c1-10-11(2)16(20)25-14-6-8-19(23)7-5-13(15(14)19)9-24-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10-,12-,14+,15+,18+,19?/m0/s1 | 3 | ||||
| 222 | 28 | 26 | 353.18383758399995 | [H][C@]12[C@@H]3CCN1CC[C@H]2OC(=O)/C(=C\C)C(O)[C@@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H27NO6/c1-4-12-15(20)10(2)18(3,23)17(22)24-9-11-5-7-19-8-6-13(14(11)19)25-16(12)21/h4,10-11,13-15,20,23H,5-9H2,1-3H3/b12-4-/t10-,11-,13-,14-,15?,18-/m1/s1 | 3 | ||||
| 223 | 30 | 28 | 385.173666824 | [H][C@]12C3=CC[N+]1([O-])CC[C@H]2OC(=O)[C@@](O)([C@@H](C)O)C[C@@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H27NO8/c1-10-8-18(24,11(2)20)16(22)27-13-5-7-19(25)6-4-12(14(13)19)9-26-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+,19?/m1/s1 | 3 | ||||
| 224 | 29 | 28 | 399.18931688799995 | C[C@@H]1C[C@](O)([C@@H](C)O)C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@]1(C)O)C2=O | InChI=1S/C19H29NO8/c1-11-9-19(26,12(2)21)17(24)28-14-6-8-20(4)7-5-13(15(14)22)10-27-16(23)18(11,3)25/h5,11-12,14,21,25-26H,6-10H2,1-4H3/t11-,12-,14-,18-,19+/m1/s1 | 2 | ||||
| 225 | 26 | 25 | 351.16818751999995 | C/C=C1\CC(C)C(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O | InChI=1S/C18H25NO6/c1-4-12-9-11(2)15(20)18(23)24-10-13-5-7-19(3)8-6-14(16(13)21)25-17(12)22/h4-5,11,14-15,20H,6-10H2,1-3H3/b12-4-,13-5?/t11?,14-,15?/m1/s1 | 2 | ||||
| 226 | 32 | 31 | 441.199881572 | CC(=O)O[C@@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)[C@@](O)(C(C)O)C[C@H]1C)C2=O | InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/t12-,13?,16-,20-,21+/m1/s1 | 2 | ||||
| 227 | 27 | 25 | 337.18892296399997 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)[C@@H](CC)C[C@@H](C)[C@](C)(O)C(=O)OC3 | InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h5,11-12,14-15,22H,4,6-10H2,1-3H3/t11-,12+,14-,15-,18+/m1/s1 | 3 | ||||
| 228 | 28 | 26 | 353.18383758399995 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)[C@@](O)(CC)C[C@@H](C)[C@](C)(O)C(=O)OC3 | InChI=1S/C18H27NO6/c1-4-18(23)9-11(2)17(3,22)15(20)24-10-12-5-7-19-8-6-13(14(12)19)25-16(18)21/h5,11,13-14,22-23H,4,6-10H2,1-3H3/t11-,13-,14-,17+,18-/m1/s1 | 3 | ||||
| 229 | 29 | 28 | 417.15542991599995 | CC(Cl)[C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O | InChI=1S/C19H28ClNO7/c1-11-9-19(26,12(2)20)17(24)28-14-6-8-21(4)7-5-13(15(14)22)10-27-16(23)18(11,3)25/h5,11-12,14,25-26H,6-10H2,1-4H3/t11-,12?,14-,18-,19+/m1/s1 | 2 | ||||
| 230 | 32 | 30 | 423.18931688799995 | CC(=O)O[C@@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)C3(C[C@H]1C)O[C@H]3C)C2=O | InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/t12-,13+,16-,20-,21?/m1/s1 | 3 | ||||
| 231 | 29 | 27 | 367.16310214 | [H][C@]12C3=CC[N+]1([O-])CC[C@H]2OC(=O)/C(=C\C)C[C@H](C)[C@](O)(CO)C(=O)OC3 | InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14+,15+,18+,19?/m0/s1 | 3 | ||||
| 232 | 30 | 28 | 403.139779852 | [H][C@]12C3=CC[N+]1([O-])CC[C@H]2OC(=O)[C@@](O)(CCl)[C@H](C)[C@@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H26ClNO7/c1-10-11(2)18(24,9-19)16(22)27-13-5-7-20(25)6-4-12(14(13)20)8-26-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18-,20?/m1/s1 | 3 | ||||
| 233 | 27 | 26 | 365.18383758399995 | C/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O | InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5+,14-6?/t12-,15+,19+/m0/s1 | 2 | ||||
| 234 | 29 | 27 | 387.14486523200003 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)[C@@](O)(C(C)Cl)C[C@@H](C)[C@](C)(O)C(=O)OC3 | InChI=1S/C18H26ClNO6/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11?,13-,14-,17+,18+/m1/s1 | 3 | ||||
| 235 | 30 | 27 | 367.16310214 | [H][C@]12C3=CC[N+]1([O-])CC[C@H]2OC(=O)C1(C[C@@H](C)[C@@](C)(O)C(=O)OC3)O[C@H]1C | InChI=1S/C18H25NO7/c1-10-8-18(11(2)26-18)16(21)25-13-5-7-19(23)6-4-12(14(13)19)9-24-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18?,19?/m1/s1 | 4 | ||||
| 236 | 31 | 29 | 395.194402268 | [H][C@@]12[C@H]3CCN1C[C@@H](OC(C)=O)[C@@H]2COC(=O)[C@](C)(O)[C@H](C)C/C(=C/C)C(=O)O3 | InChI=1S/C20H29NO7/c1-5-13-8-11(2)20(4,25)19(24)26-10-14-16(27-12(3)22)9-21-7-6-15(17(14)21)28-18(13)23/h5,11,14-17,25H,6-10H2,1-4H3/b13-5-/t11-,14+,15-,16-,17-,20-/m1/s1 | 3 | ||||
| 237 | 32 | 30 | 423.18931688799995 | CC(=O)O[C@@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)[C@@]3(C[C@H]1C)O[C@H]3C)C2=O | InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/t12-,13+,16-,20-,21+/m1/s1 | 3 | ||||
| 238 | 43 | 40 | 542.2363266559998 | [H][C@@]12CC(=O)OC[C@]3([H])[C@@H](C)CC[C@@]3(O)[C@@H](C)COC(=O)C1=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C2=C/C | InChI=1S/C26H38O12/c1-4-14-15-7-19(28)34-11-17-12(2)5-6-26(17,33)13(3)9-35-23(32)16(15)10-36-24(14)38-25-22(31)21(30)20(29)18(8-27)37-25/h4,10,12-13,15,17-18,20-22,24-25,27,29-31,33H,5-9,11H2,1-3H3/b14-4+/t12-,13-,15-,17+,18+,20+,21-,22+,24-,25-,26+/m0/s1 | 4 | ||||
| 239 | 29 | 27 | 365.147452076 | [H][C@]12C3=CC[N+]1([O-])CC[C@H]2OC(=O)/C(=C\C)CC(=C)[C@](O)(CO)C(=O)OC3 | InChI=1S/C18H23NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3/b12-3-/t14-,15-,18-,19?/m1/s1 | 3 | ||||
| 240 | 30 | 29 | 407.1944022679999 | C/C=C1\C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O | InChI=1S/C21H29NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,13,17H,8-12H2,1-5H3/b15-6+,16-7?/t13-,17+,21-/m0/s1 | 2 | ||||
| 241 | 29 | 27 | 381.1787522039999 | C[C@@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@]1(C)O)C2=O | InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/t11-,12-,14-,18-,19-/m1/s1 | 3 | ||||
| 242 | 35 | 34 | 483.21044625599995 | CC(=O)O[C@H](C)[C@@]1(O)C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O | InChI=1S/C23H33NO10/c1-13-11-23(30,14(2)32-15(3)25)21(29)33-18-8-10-24(6)9-7-17(19(18)27)12-31-20(28)22(13,5)34-16(4)26/h7,13-14,18,30H,8-12H2,1-6H3/t13-,14-,18-,22-,23+/m1/s1 | 2 | ||||
| 243 | 29 | 27 | 363.16818751999995 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)C[C@@H](C)[C@H](OC(C)=O)C(=O)OC3 | InChI=1S/C19H25NO6/c1-4-13-9-11(2)17(25-12(3)21)19(23)24-10-14-5-7-20-8-6-15(16(14)20)26-18(13)22/h4-5,11,15-17H,6-10H2,1-3H3/b13-4-/t11-,15-,16-,17+/m1/s1 | 3 | ||||
| 244 | 76 | 68 | 952.0817956360003 | O=C1O[C@@H]2[C@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@@H]2O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]3OC(=O)c2cc(O)c(O)c3c2C2C1=CC(=O)C(O)(O3)C2(O)O | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30-,32+,33-,39+,41?/m0/s1 | 9 | ||||
| 245 | 21 | 20 | 278.151809184 | C[C@H]1CCCCCCCc2cc(O)cc(O)c2C(=O)O1 | InChI=1S/C16H22O4/c1-11-7-5-3-2-4-6-8-12-9-13(17)10-14(18)15(12)16(19)20-11/h9-11,17-18H,2-8H2,1H3/t11-/m0/s1 | 2 | ||||
| 246 | 70 | 65 | 928.3576235600001 | CC=C1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O[C@H]1C[C@H](C)[C@H]2COC(=O)C[C@@H]3C(=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=CC)C(=O)OC[C@H](C)C12 | InChI=1S/C43H60O22/c1-6-19-21-9-29(46)57-14-23-17(3)8-26(31(23)18(4)13-58-39(55)25(21)16-60-40(19)64-42-36(52)34(50)32(48)27(11-44)62-42)61-30(47)10-22-20(7-2)41(59-15-24(22)38(54)56-5)65-43-37(53)35(51)33(49)28(12-45)63-43/h6-7,15-18,21-23,26-28,31-37,40-45,48-53H,8-14H2,1-5H3/t17-,18-,21-,22-,23+,26-,27+,28+,31?,32+,33+,34-,35-,36+,37+,40-,41-,42-,43-/m0/s1 | 6 | ||||
| 247 | 41 | 38 | 542.2363266559998 | CC=C1C(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)OCC(C)C3(O)CCC(C)C3COC(=O)CC21 | InChI=1S/C26H38O12/c1-4-14-15-7-19(28)34-11-17-12(2)5-6-26(17,33)13(3)9-35-23(32)16(15)10-36-24(14)38-25-22(31)21(30)20(29)18(8-27)37-25/h4,10,12-13,15,17-18,20-22,24-25,27,29-31,33H,5-9,11H2,1-3H3/t12?,13?,15?,17?,18-,20-,21+,22-,24?,25+,26?/m0/s1 | 4 | ||||
| 248 | 41 | 38 | 542.2363266559998 | CC=C1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OC[C@H](C)C3[C@@H](O)C[C@H](C)[C@H]3COC(=O)C[C@H]21 | InChI=1S/C26H38O12/c1-4-13-14-6-19(29)34-9-15-11(2)5-17(28)20(15)12(3)8-35-24(33)16(14)10-36-25(13)38-26-23(32)22(31)21(30)18(7-27)37-26/h4,10-12,14-15,17-18,20-23,25-28,30-32H,5-9H2,1-3H3/t11-,12-,14-,15+,17-,18+,20?,21+,22-,23+,25-,26-/m0/s1 | 4 | ||||
| 249 | 26 | 24 | 333.15762283600003 | C=C1CC(=CC)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 | InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/t14-,15-,18+/m1/s1 | 3 | ||||
| 250 | 24 | 23 | 339.160121372 | Cl.O=C1OCCOc2ccccc2CCCCC12CCNCC2 | InChI=1S/C18H25NO3.ClH/c20-17-18(9-11-19-12-10-18)8-4-3-6-15-5-1-2-7-16(15)21-13-14-22-17;/h1-2,5,7,19H,3-4,6,8-14H2;1H | 3 | ||||
| 251 | 42 | 39 | 558.2312412759999 | CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OCC(C)C3(O)C(O)CC(C)C3COC(=O)CC21 | InChI=1S/C26H38O13/c1-4-13-14-6-19(29)35-10-16-11(2)5-18(28)26(16,34)12(3)8-36-23(33)15(14)9-37-24(13)39-25-22(32)21(31)20(30)17(7-27)38-25/h4,9,11-12,14,16-18,20-22,24-25,27-28,30-32,34H,5-8,10H2,1-3H3 | 4 | ||||
| 252 | 37 | 35 | 496.1216908279998 | COc1c(O)cc2c(c1O)C(=O)OC(C)C(O)c1c(O)c(O)c(OC)c(O)c1C(=O)OC(C)C2O | InChI=1S/C22H24O13/c1-6-13(24)8-5-9(23)19(32-3)16(27)10(8)21(30)35-7(2)14(25)11-12(22(31)34-6)17(28)20(33-4)18(29)15(11)26/h5-7,13-14,23-29H,1-4H3 | 3 | ||||
| 253 | 13 | 13 | 184.14632988 | O=C1CCCCCCCCCCO1 | InChI=1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2 | 1 | ||||
| 254 | 30 | 28 | 337.1889229640001 | [H]C1(C)CC(=CC)C(=O)OC2([H])CCN3CCC([H])(COC(=O)C1(C)O)C32[H] | InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3 | 3 | ||||
| 255 | 30 | 28 | 381.1787522039999 | [H][C@@]1(C)O[C@@]12C[C@@H](C)[C@@](C)(O)C(=O)OCC1=CCN(C)CC[C@@H](OC2=O)C1=O | InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/t11-,12+,14-,18-,19+/m1/s1 | 3 | ||||
| 256 | 22 | 21 | 292.167459248 | COc1cc(O)cc2c1C(=O)OC(C)CCCCCCC2 | InChI=1S/C17H24O4/c1-12-8-6-4-3-5-7-9-13-10-14(18)11-15(20-2)16(13)17(19)21-12/h10-12,18H,3-9H2,1-2H3 | 2 | ||||
| 257 | 35 | 34 | 469.3039527159999 | [H][C@]1([C@@H](C)O)OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)C=C[C@H]1C | InChI=1S/C25H43NO7/c1-13-9-10-20(28)14(2)11-15(3)22(17(5)24(30)32-23(13)18(6)27)33-25-21(29)19(26(7)8)12-16(4)31-25/h9-10,13-19,21-23,25,27,29H,11-12H2,1-8H3/t13-,14-,15+,16-,17-,18-,19+,21-,22+,23+,25+/m1/s1 | 2 | ||||
| 258 | 27 | 25 | 333.157622836 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)CC(=C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1 | 3 | ||||
| 259 | 22 | 21 | 292.167459248 | COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCCCCC2 | InChI=1S/C17H24O4/c1-12-8-6-4-3-5-7-9-13-10-14(18)11-15(20-2)16(13)17(19)21-12/h10-12,18H,3-9H2,1-2H3/t12-/m0/s1 | 2 | ||||
| 260 | 75 | 68 | 954.0974457000003 | O=C(O)CC1C(=O)OC2C3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c4c2C1[C@H](O)C(=O)O4)C(OC(=O)c1cc(O)c(O)c(O)c1)O3 | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12?,18?,22?,30-,31?,33?,34?,41?/m0/s1 | 8 | ||||
| 261 | 28 | 26 | 353.18383758399995 | [H][C@@]12[C@H]3CCN1C[C@@H](O)[C@@H]2COC(=O)[C@](C)(O)[C@H](C)C/C(=C/C)C(=O)O3 | InChI=1S/C18H27NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,10,12-15,20,23H,5-9H2,1-3H3/b11-4-/t10-,12+,13-,14-,15-,18-/m1/s1 | 3 | ||||
| 262 | 31 | 29 | 405.178752204 | C=CC1=C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23[O-] | InChI=1S/C21H27NO7/c1-6-15-11-13(2)20(4,29-14(3)23)19(25)27-12-16-7-9-22(5)10-8-17(21(16,22)26)28-18(15)24/h6-7,11,13,17H,1,8-10,12H2,2-5H3/t13-,17+,20-,21-,22?/m0/s1 | 3 | ||||
| 263 | 27 | 25 | 337.18892296399997 | [H][C@@]12[C@@H]3CCN1CC[C@H]2OC(=O)/C(=C\C)C[C@@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15+,18-/m1/s1 | 3 | ||||
| 264 | 30 | 28 | 389.1474520759999 | C=C1C(=O)O[C@@H]2CC(=O)n3ccc(c32)COC(=O)C(C)(OC(C)=O)C(C)C1C | InChI=1S/C20H23NO7/c1-10-11(2)18(24)27-15-8-16(23)21-7-6-14(17(15)21)9-26-19(25)20(5,12(10)3)28-13(4)22/h6-7,10,12,15H,2,8-9H2,1,3-5H3/t10?,12?,15-,20?/m1/s1 | 3 | ||||
| 265 | 28 | 26 | 351.16818751999995 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)C[C@H](C)[C@](O)(CO)C(=O)OC3 | InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14+,15+,18+/m0/s1 | 3 | ||||
| 266 | 30 | 28 | 389.1474520759999 | C/C=C1/C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@@H](CC3=O)OC1=O | InChI=1S/C20H23NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-6-7-21-16(23)9-15(17(14)21)27-18(13)24/h5-7,11,15H,8-10H2,1-4H3/b13-5-/t11-,15-,20-/m1/s1 | 3 | ||||
| 267 | 27 | 25 | 337.18892296399997 | [H][C@]12[C@@H]3CCN1CC[C@H]2OC(=O)/C(=C\C)C[C@@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18-/m1/s1 | 3 | ||||
| 268 | 27 | 25 | 335.1732729 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)C[C@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14+,15+,18+/m0/s1 | 3 | ||||
| 269 | 27 | 25 | 337.18892296399997 | [H][C@]12[C@@H]3CCN1CC[C@H]2OC(=O)/C(=C/C)C[C@@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4+/t11-,13-,14-,15-,18-/m1/s1 | 3 | ||||
| 270 | 28 | 26 | 351.16818751999995 | [H][C@]12C3=CCN1C[C@@H](O)[C@H]2OC(=O)/C(=C\C)C[C@@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1 | 3 | ||||
| 271 | 49 | 45 | 634.0806138639999 | O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@H]1O)[C@@H]2O)c1cc(O)c(O)c(O)c1 | InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1 | 5 | ||||
| 272 | 38 | 34 | 463.23587315599997 | CC1=CCC(=O)OC23C(=O)NC(Cc4ccccc4)C2C(C)C2(C)OC2C3C=CCC(C)C1=O | InChI=1S/C28H33NO5/c1-16-9-8-12-20-25-27(4,34-25)18(3)23-21(15-19-10-6-5-7-11-19)29-26(32)28(20,23)33-22(30)14-13-17(2)24(16)31/h5-8,10-13,16,18,20-21,23,25H,9,14-15H2,1-4H3,(H,29,32) | 5 | ||||
| 273 | 35 | 34 | 487.20536087599993 | CC=C1CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23.O=C(O)C(O)C(O)C(=O)O | InChI=1S/C18H27NO5.C4H6O6/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20;5-1(3(7)8)2(6)4(9)10/h4,11,13-15,22H,5-10H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10) | 3 | ||||
| 274 | 49 | 45 | 592.3611332439999 | [H][C@@]12C=C[C@]3([H])C[C@@H](OC4OC(C)C(OC)C(OC)C4OC)CC3[C@]1([H])CC1C(=O)[C@H](C)[C@@H](O)CCC[C@H](CC)OC(=O)CC12 | InChI=1S/C33H52O9/c1-7-20-9-8-10-27(34)17(2)29(36)26-15-24-22(25(26)16-28(35)41-20)12-11-19-13-21(14-23(19)24)42-33-32(39-6)31(38-5)30(37-4)18(3)40-33/h11-12,17-27,30-34H,7-10,13-16H2,1-6H3/t17-,18?,19-,20+,21-,22-,23?,24-,25?,26?,27+,30?,31?,32?,33?/m1/s1 | 5 | ||||
| 275 | 49 | 45 | 634.080613864 | O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@H]1O)[C@@H]2O)c1cc(O)c(O)c(O)c1 | InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1 | 5 | ||||
| 276 | 27 | 25 | 351.16818752 | CC=C1CC(C)C(O)(CO)C(=O)OCC2=CCN3CCC(OC1=O)C23 | InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3 | 3 | ||||
| 277 | 29 | 27 | 349.15253745599995 | [H][C@]12CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)C(=C)C/C(=C/C)C(=O)O1)[C@]23[H] | InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-,19?/m1/s1 | 3 | ||||
| 278 | 31 | 29 | 375.16818752 | [H][C@]12CCN3CC=C(COC(=O)[C@](C)(OC(C)=O)C(=C)C/C(=C/C)C(=O)O1)[C@@]32[H] | InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/b14-5-/t16-,17-,20-/m1/s1 | 3 | ||||
| 279 | 21 | 20 | 278.151809184 | C[C@H]1CCCCCCCc2cc(O)cc(O)c2C(=O)O1 | InChI=1S/C16H22O4/c1-11-7-5-3-2-4-6-8-12-9-13(17)10-14(18)15(12)16(19)20-11/h9-11,17-18H,2-8H2,1H3/t11-/m0/s1 | 2 | ||||
| 280 | 65 | 60 | 745.4764973440002 | [H][C@]1(O[C@H]2CCC[C@H](CC)OC(=O)C[C@]3([H])C(=C[C@]4([H])[C@@]3([H])C=C(C)[C@]3([H])C[C@@H](O[C@]5([H])O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@]43[H])C(=O)[C@@H]2C)CC[C@H](N(C)C)[C@@H](C)O1 | InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1 | 6 | ||||
| 281 | 76 | 69 | 954.0974457000005 | [H][C@]12c3c(cc(O)c(O)c3OC(=O)[C@H]1O)C(=O)O[C@H]1[C@H](OC(=O)c3cc(O)c(O)c(O)c3)O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]1[C@@H]3OC(=O)[C@H]2CC(=O)O | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31+,33-,34+,41-/m0/s1 | 8 | ||||
| 282 | 34 | 31 | 425.2002365959999 | O=C(c1ccc(F)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H28FNO4/c26-21-10-8-20(9-11-21)23(28)27-15-13-25(14-16-27)12-4-3-6-19-5-1-2-7-22(19)30-17-18-31-24(25)29/h1-2,5,7-11H,3-4,6,12-18H2 | 4 | ||||
| 283 | 37 | 34 | 469.22645134399994 | O=C(CCOc1ccc(F)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H32FNO5/c28-22-8-10-23(11-9-22)32-18-12-25(30)29-16-14-27(15-17-29)13-4-3-6-21-5-1-2-7-24(21)33-19-20-34-26(27)31/h1-2,5,7-11H,3-4,6,12-20H2 | 4 | ||||
| 284 | 35 | 32 | 437.22022309199997 | O=C(COc1ccccc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H31NO5/c28-24(20-32-22-10-2-1-3-11-22)27-16-14-26(15-17-27)13-7-6-9-21-8-4-5-12-23(21)30-18-19-31-25(26)29/h1-5,8,10-12H,6-7,9,13-20H2 | 4 | ||||
| 285 | 29 | 27 | 373.225308472 | CC(C)C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H31NO4/c1-17(2)20(24)23-13-11-22(12-14-23)10-6-5-8-18-7-3-4-9-19(18)26-15-16-27-21(22)25/h3-4,7,9,17H,5-6,8,10-16H2,1-2H3 | 3 | ||||
| 286 | 36 | 33 | 471.18125073999994 | O=C(COc1ccc(Cl)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H30ClNO5/c27-21-8-10-22(11-9-21)33-19-24(29)28-15-13-26(14-16-28)12-4-3-6-20-5-1-2-7-23(20)31-17-18-32-25(26)30/h1-2,5,7-11H,3-4,6,12-19H2 | 4 | ||||
| 287 | 29 | 27 | 375.20457302799997 | COCC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C21H29NO5/c1-25-16-19(23)22-12-10-21(11-13-22)9-5-4-7-17-6-2-3-8-18(17)26-14-15-27-20(21)24/h2-3,6,8H,4-5,7,9-16H2,1H3 | 3 | ||||
| 288 | 34 | 31 | 441.1706860559999 | O=C(c1ccc(Cl)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H28ClNO4/c26-21-10-8-20(9-11-21)23(28)27-15-13-25(14-16-27)12-4-3-6-19-5-1-2-7-22(19)30-17-18-31-24(25)29/h1-2,5,7-11H,3-4,6,12-18H2 | 4 | ||||
| 289 | 33 | 30 | 413.2566086 | O=C(C1CCCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H35NO4/c27-23(21-10-2-1-3-11-21)26-16-14-25(15-17-26)13-7-6-9-20-8-4-5-12-22(20)29-18-19-30-24(25)28/h4-5,8,12,21H,1-3,6-7,9-11,13-19H2 | 4 | ||||
| 290 | 36 | 33 | 469.20198618399996 | O=C(CCc1ccc(Cl)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H32ClNO4/c28-23-11-8-21(9-12-23)10-13-25(30)29-17-15-27(16-18-29)14-4-3-6-22-5-1-2-7-24(22)32-19-20-33-26(27)31/h1-2,5,7-9,11-12H,3-4,6,10,13-20H2 | 4 | ||||
| 291 | 34 | 31 | 422.22055744 | O=C(Cc1cccnc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H30N2O4/c28-23(18-20-6-5-13-26-19-20)27-14-11-25(12-15-27)10-4-3-8-21-7-1-2-9-22(21)30-16-17-31-24(25)29/h1-2,5-7,9,13,19H,3-4,8,10-12,14-18H2 | 4 | ||||
| 292 | 34 | 31 | 421.22530847199994 | Cc1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c1 | InChI=1S/C26H31NO4/c1-20-7-6-10-22(19-20)24(28)27-15-13-26(14-16-27)12-5-4-9-21-8-2-3-11-23(21)30-17-18-31-25(26)29/h2-3,6-8,10-11,19H,4-5,9,12-18H2,1H3 | 4 | ||||
| 293 | 35 | 32 | 443.27840666400004 | CN1CCN(CC(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)CC1 | InChI=1S/C25H37N3O4/c1-26-14-16-27(17-15-26)20-23(29)28-12-10-25(11-13-28)9-5-4-7-21-6-2-3-8-22(21)31-18-19-32-24(25)30/h2-3,6,8H,4-5,7,9-20H2,1H3 | 4 | ||||
| 294 | 32 | 29 | 399.240958536 | O=C(C1CCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H33NO4/c26-22(20-9-1-2-10-20)25-15-13-24(14-16-25)12-6-5-8-19-7-3-4-11-21(19)28-17-18-29-23(24)27/h3-4,7,11,20H,1-2,5-6,8-10,12-18H2 | 4 | ||||
| 295 | 36 | 33 | 469.20198618399996 | O=C(CCc1ccccc1Cl)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H32ClNO4/c28-23-10-3-1-7-21(23)12-13-25(30)29-17-15-27(16-18-29)14-6-5-9-22-8-2-4-11-24(22)32-19-20-33-26(27)31/h1-4,7-8,10-11H,5-6,9,12-20H2 | 4 | ||||
| 296 | 30 | 27 | 371.20965840799994 | O=C(C1CC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H29NO4/c24-20(18-8-9-18)23-13-11-22(12-14-23)10-4-3-6-17-5-1-2-7-19(17)26-15-16-27-21(22)25/h1-2,5,7,18H,3-4,6,8-16H2 | 4 | ||||
| 297 | 35 | 32 | 435.24095853599994 | Cc1cccc(C)c1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H33NO4/c1-20-8-7-9-21(2)24(20)25(29)28-16-14-27(15-17-28)13-6-5-11-22-10-3-4-12-23(22)31-18-19-32-26(27)30/h3-4,7-10,12H,5-6,11,13-19H2,1-2H3 | 4 | ||||
| 298 | 32 | 29 | 397.20015634399994 | O=C(c1cc[nH]n1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H27N3O4/c26-20(18-8-12-23-24-18)25-13-10-22(11-14-25)9-4-3-6-17-5-1-2-7-19(17)28-15-16-29-21(22)27/h1-2,5,7-8,12H,3-4,6,9-11,13-16H2,(H,23,24) | 4 | ||||
| 299 | 35 | 32 | 437.22022309199997 | COc1ccccc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H31NO5/c1-30-23-12-5-3-10-21(23)24(28)27-16-14-26(15-17-27)13-7-6-9-20-8-2-4-11-22(20)31-18-19-32-25(26)29/h2-5,8,10-12H,6-7,9,13-19H2,1H3 | 4 | ||||
| 300 | 31 | 28 | 385.225308472 | O=C(CC1CC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H31NO4/c25-21(17-18-8-9-18)24-13-11-23(12-14-24)10-4-3-6-19-5-1-2-7-20(19)27-15-16-28-22(23)26/h1-2,5,7,18H,3-4,6,8-17H2 | 4 | ||||
| 301 | 35 | 32 | 455.18633611999996 | O=C(Cc1ccc(Cl)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H30ClNO4/c27-22-10-8-20(9-11-22)19-24(29)28-15-13-26(14-16-28)12-4-3-6-21-5-1-2-7-23(21)31-17-18-32-25(26)30/h1-2,5,7-11H,3-4,6,12-19H2 | 4 | ||||
| 302 | 33 | 30 | 407.20965840799994 | O=C(c1ccccc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H29NO4/c27-23(21-10-2-1-3-11-21)26-16-14-25(15-17-26)13-7-6-9-20-8-4-5-12-22(20)29-18-19-30-24(25)28/h1-5,8,10-12H,6-7,9,13-19H2 | 4 | ||||
| 303 | 32 | 30 | 427.19704303599997 | O=C(CCC(F)(F)F)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H28F3NO4/c23-22(24,25)10-8-19(27)26-13-11-21(12-14-26)9-4-3-6-17-5-1-2-7-18(17)29-15-16-30-20(21)28/h1-2,5,7H,3-4,6,8-16H2 | 3 | ||||
| 304 | 33 | 30 | 411.21580640799993 | Cn1ccnc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H29N3O4/c1-25-15-12-24-20(25)21(27)26-13-10-23(11-14-26)9-5-4-7-18-6-2-3-8-19(18)29-16-17-30-22(23)28/h2-3,6,8,12,15H,4-5,7,9-11,13-14,16-17H2,1H3 | 4 | ||||
| 305 | 34 | 31 | 422.2205574399999 | O=C(Cc1ccccn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H30N2O4/c28-23(19-21-9-4-6-14-26-21)27-15-12-25(13-16-27)11-5-3-8-20-7-1-2-10-22(20)30-17-18-31-24(25)29/h1-2,4,6-7,9-10,14H,3,5,8,11-13,15-19H2 | 4 | ||||
| 306 | 30 | 28 | 387.240958536 | CC(C)CC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H33NO4/c1-18(2)17-21(25)24-13-11-23(12-14-24)10-6-5-8-19-7-3-4-9-20(19)27-15-16-28-22(23)26/h3-4,7,9,18H,5-6,8,10-17H2,1-2H3 | 3 | ||||
| 307 | 34 | 31 | 421.22530847199994 | Cc1ccccc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H31NO4/c1-20-8-2-4-11-22(20)24(28)27-16-14-26(15-17-27)13-7-6-10-21-9-3-5-12-23(21)30-18-19-31-25(26)29/h2-5,8-9,11-12H,6-7,10,13-19H2,1H3 | 4 | ||||
| 308 | 27 | 25 | 345.194008344 | CC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C20H27NO4/c1-16(22)21-12-10-20(11-13-21)9-5-4-7-17-6-2-3-8-18(17)24-14-15-25-19(20)23/h2-3,6,8H,4-5,7,9-15H2,1H3 | 3 | ||||
| 309 | 33 | 30 | 413.2566086 | O=C(CC1CCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H35NO4/c27-23(19-20-7-1-2-8-20)26-15-13-25(14-16-26)12-6-5-10-21-9-3-4-11-22(21)29-17-18-30-24(25)28/h3-4,9,11,20H,1-2,5-8,10,12-19H2 | 4 | ||||
| 310 | 34 | 31 | 427.272258664 | O=C(C1CCCCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H37NO4/c28-24(22-11-3-1-2-4-12-22)27-17-15-26(16-18-27)14-8-7-10-21-9-5-6-13-23(21)30-19-20-31-25(26)29/h5-6,9,13,22H,1-4,7-8,10-12,14-20H2 | 4 | ||||
| 311 | 31 | 29 | 401.2566086 | CC(C)(C)CC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H35NO4/c1-23(2,3)18-21(26)25-14-12-24(13-15-25)11-7-6-9-19-8-4-5-10-20(19)28-16-17-29-22(24)27/h4-5,8,10H,6-7,9,11-18H2,1-3H3 | 3 | ||||
| 312 | 34 | 31 | 421.225308472 | O=C(Cc1ccccc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H31NO4/c28-24(20-21-8-2-1-3-9-21)27-16-14-26(15-17-27)13-7-6-11-22-10-4-5-12-23(22)30-18-19-31-25(26)29/h1-5,8-10,12H,6-7,11,13-20H2 | 4 | ||||
| 313 | 34 | 31 | 425.23145647200005 | Cc1cc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)nn1C | InChI=1S/C24H31N3O4/c1-18-17-20(25-26(18)2)22(28)27-13-11-24(12-14-27)10-6-5-8-19-7-3-4-9-21(19)30-15-16-31-23(24)29/h3-4,7,9,17H,5-6,8,10-16H2,1-2H3 | 4 | ||||
| 314 | 35 | 32 | 435.240958536 | O=C(CCc1ccccc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H33NO4/c29-25(14-13-22-8-2-1-3-9-22)28-18-16-27(17-19-28)15-7-6-11-23-10-4-5-12-24(23)31-20-21-32-26(27)30/h1-5,8-10,12H,6-7,11,13-21H2 | 4 | ||||
| 315 | 34 | 31 | 425.20023659599997 | O=C(c1ccccc1F)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H28FNO4/c26-21-10-3-2-9-20(21)23(28)27-15-13-25(14-16-27)12-6-5-8-19-7-1-4-11-22(19)30-17-18-31-24(25)29/h1-4,7,9-11H,5-6,8,12-18H2 | 4 | ||||
| 316 | 34 | 31 | 442.16593502399996 | O=C(c1ccc(Cl)cn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H27ClN2O4/c25-19-8-9-20(26-17-19)22(28)27-13-11-24(12-14-27)10-4-3-6-18-5-1-2-7-21(18)30-15-16-31-23(24)29/h1-2,5,7-9,17H,3-4,6,10-16H2 | 4 | ||||
| 317 | 28 | 26 | 359.209658408 | CCC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C21H29NO4/c1-2-19(23)22-13-11-21(12-14-22)10-6-5-8-17-7-3-4-9-18(17)25-15-16-26-20(21)24/h3-4,7,9H,2,5-6,8,10-16H2,1H3 | 3 | ||||
| 318 | 31 | 28 | 385.225308472 | O=C(C1CCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H31NO4/c25-21(19-8-5-9-19)24-14-12-23(13-15-24)11-4-3-7-18-6-1-2-10-20(18)27-16-17-28-22(23)26/h1-2,6,10,19H,3-5,7-9,11-17H2 | 4 | ||||
| 319 | 34 | 31 | 427.272258664 | O=C(CCC1CCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H37NO4/c28-24(13-12-21-7-1-2-8-21)27-17-15-26(16-18-27)14-6-5-10-22-9-3-4-11-23(22)30-19-20-31-25(26)29/h3-4,9,11,21H,1-2,5-8,10,12-20H2 | 4 | ||||
| 320 | 35 | 32 | 443.190814784 | O=C(c1cc(F)cc(F)c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H27F2NO4/c26-20-15-19(16-21(27)17-20)23(29)28-11-9-25(10-12-28)8-4-3-6-18-5-1-2-7-22(18)31-13-14-32-24(25)30/h1-2,5,7,15-17H,3-4,6,8-14H2 | 4 | ||||
| 321 | 35 | 32 | 437.22022309199997 | COc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)cc1 | InChI=1S/C26H31NO5/c1-30-22-11-9-21(10-12-22)24(28)27-16-14-26(15-17-27)13-5-4-7-20-6-2-3-8-23(20)31-18-19-32-25(26)29/h2-3,6,8-12H,4-5,7,13-19H2,1H3 | 4 | ||||
| 322 | 34 | 31 | 428.267507632 | O=C(CN1CCCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H36N2O4/c28-23(20-26-14-6-1-7-15-26)27-16-12-25(13-17-27)11-5-4-9-21-8-2-3-10-22(21)30-18-19-31-24(25)29/h2-3,8,10H,1,4-7,9,11-20H2 | 4 | ||||
| 323 | 36 | 33 | 450.2518575679999 | CN(C)c1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c1 | InChI=1S/C27H34N2O4/c1-28(2)23-11-7-10-22(20-23)25(30)29-16-14-27(15-17-29)13-6-5-9-21-8-3-4-12-24(21)32-18-19-33-26(27)31/h3-4,7-8,10-12,20H,5-6,9,13-19H2,1-2H3 | 4 | ||||
| 324 | 38 | 34 | 461.23145647199993 | Cc1nc2ccc(C(=O)N3CCC4(CCCCc5ccccc5OCCOC4=O)CC3)cc2[nH]1 | InChI=1S/C27H31N3O4/c1-19-28-22-10-9-21(18-23(22)29-19)25(31)30-14-12-27(13-15-30)11-5-4-7-20-6-2-3-8-24(20)33-16-17-34-26(27)32/h2-3,6,8-10,18H,4-5,7,11-17H2,1H3,(H,28,29) | 5 | ||||
| 325 | 35 | 32 | 438.2154720599999 | COc1cc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)ccn1 | InChI=1S/C25H30N2O5/c1-30-22-18-20(9-13-26-22)23(28)27-14-11-25(12-15-27)10-5-4-7-19-6-2-3-8-21(19)31-16-17-32-24(25)29/h2-3,6,8-9,13,18H,4-5,7,10-12,14-17H2,1H3 | 4 | ||||
| 326 | 34 | 31 | 426.2154720599999 | Cc1noc(C)c1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H30N2O5/c1-17-21(18(2)31-25-17)22(27)26-13-11-24(12-14-26)10-6-5-8-19-7-3-4-9-20(19)29-15-16-30-23(24)28/h3-4,7,9H,5-6,8,10-16H2,1-2H3 | 4 | ||||
| 327 | 33 | 30 | 411.21580640799993 | Cn1nccc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H29N3O4/c1-25-19(9-13-24-25)21(27)26-14-11-23(12-15-26)10-5-4-7-18-6-2-3-8-20(18)29-16-17-30-22(23)28/h2-3,6,8-9,13H,4-5,7,10-12,14-17H2,1H3 | 4 | ||||
| 328 | 34 | 31 | 423.21580640799993 | Nc1cc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)ccn1 | InChI=1S/C24H29N3O4/c25-21-17-19(8-12-26-21)22(28)27-13-10-24(11-14-27)9-4-3-6-18-5-1-2-7-20(18)30-15-16-31-23(24)29/h1-2,5,7-8,12,17H,3-4,6,9-11,13-16H2,(H2,25,26) | 4 | ||||
| 329 | 33 | 30 | 428.1769783759999 | Cc1ncsc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H28N2O4S/c1-17-20(30-16-24-17)21(26)25-12-10-23(11-13-25)9-5-4-7-18-6-2-3-8-19(18)28-14-15-29-22(23)27/h2-3,6,8,16H,4-5,7,9-15H2,1H3 | 4 | ||||
| 330 | 37 | 33 | 447.21580640799993 | O=C(c1n[nH]c2ccccc12)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H29N3O4/c30-24(23-20-9-2-3-10-21(20)27-28-23)29-15-13-26(14-16-29)12-6-5-8-19-7-1-4-11-22(19)32-17-18-33-25(26)31/h1-4,7,9-11H,5-6,8,12-18H2,(H,27,28) | 5 | ||||
| 331 | 30 | 28 | 389.22022309199997 | COCCC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H31NO5/c1-26-15-9-20(24)23-13-11-22(12-14-23)10-5-4-7-18-6-2-3-8-19(18)27-16-17-28-21(22)25/h2-3,6,8H,4-5,7,9-17H2,1H3 | 3 | ||||
| 332 | 37 | 33 | 446.2205574399999 | O=C(c1ccc2[nH]ccc2c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H30N2O4/c30-25(22-8-9-23-21(19-22)10-14-28-23)29-15-12-27(13-16-29)11-4-3-6-20-5-1-2-7-24(20)32-17-18-33-26(27)31/h1-2,5,7-10,14,19,28H,3-4,6,11-13,15-18H2 | 5 | ||||
| 333 | 37 | 33 | 446.2205574399999 | O=C(c1ccc2cc[nH]c2c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H30N2O4/c30-25(22-9-8-20-10-14-28-23(20)19-22)29-15-12-27(13-16-29)11-4-3-6-21-5-1-2-7-24(21)32-17-18-33-26(27)31/h1-2,5,7-10,14,19,28H,3-4,6,11-13,15-18H2 | 5 | ||||
| 334 | 33 | 30 | 429.1722273439999 | Nc1ncc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)s1 | InChI=1S/C22H27N3O4S/c23-21-24-15-18(30-21)19(26)25-11-9-22(10-12-25)8-4-3-6-16-5-1-2-7-17(16)28-13-14-29-20(22)27/h1-2,5,7,15H,3-4,6,8-14H2,(H2,23,24) | 4 | ||||
| 335 | 33 | 30 | 408.2049073759999 | O=C(c1cccnc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H28N2O4/c27-22(20-8-5-13-25-18-20)26-14-11-24(12-15-26)10-4-3-7-19-6-1-2-9-21(19)29-16-17-30-23(24)28/h1-2,5-6,8-9,13,18H,3-4,7,10-12,14-17H2 | 4 | ||||
| 336 | 34 | 31 | 425.1950709639999 | O=C(c1ccc(=O)[nH]n1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H27N3O5/c27-20-9-8-18(24-25-20)21(28)26-13-11-23(12-14-26)10-4-3-6-17-5-1-2-7-19(17)30-15-16-31-22(23)29/h1-2,5,7-9H,3-4,6,10-16H2,(H,25,27) | 4 | ||||
| 337 | 37 | 33 | 447.21580640799993 | O=C(c1ccc2[nH]cnc2c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H29N3O4/c30-24(20-8-9-21-22(17-20)28-18-27-21)29-13-11-26(12-14-29)10-4-3-6-19-5-1-2-7-23(19)32-15-16-33-25(26)31/h1-2,5,7-9,17-18H,3-4,6,10-16H2,(H,27,28) | 5 | ||||
| 338 | 35 | 32 | 438.2154720599999 | COc1ccnc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c1 | InChI=1S/C25H30N2O5/c1-30-20-9-13-26-21(18-20)23(28)27-14-11-25(12-15-27)10-5-4-7-19-6-2-3-8-22(19)31-16-17-32-24(25)29/h2-3,6,8-9,13,18H,4-5,7,10-12,14-17H2,1H3 | 4 | ||||
| 339 | 37 | 33 | 446.22055744 | O=C(c1cccc2[nH]ccc12)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H30N2O4/c30-25(22-8-5-9-23-21(22)11-15-28-23)29-16-13-27(14-17-29)12-4-3-7-20-6-1-2-10-24(20)32-18-19-33-26(27)31/h1-2,5-6,8-11,15,28H,3-4,7,12-14,16-19H2 | 5 | ||||
| 340 | 34 | 31 | 423.21580640799993 | Nc1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)n1 | InChI=1S/C24H29N3O4/c25-21-10-5-8-19(26-21)22(28)27-14-12-24(13-15-27)11-4-3-7-18-6-1-2-9-20(18)30-16-17-31-23(24)29/h1-2,5-6,8-10H,3-4,7,11-17H2,(H2,25,26) | 4 | ||||
| 341 | 34 | 31 | 424.1998219959999 | O=C(c1ccc(=O)[nH]c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H28N2O5/c27-21-9-8-19(17-25-21)22(28)26-13-11-24(12-14-26)10-4-3-6-18-5-1-2-7-20(18)30-15-16-31-23(24)29/h1-2,5,7-9,17H,3-4,6,10-16H2,(H,25,27) | 4 | ||||
| 342 | 33 | 30 | 408.2049073759999 | O=C(c1ccccn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H28N2O4/c27-22(20-9-4-6-14-25-20)26-15-12-24(13-16-26)11-5-3-8-19-7-1-2-10-21(19)29-17-18-30-23(24)28/h1-2,4,6-7,9-10,14H,3,5,8,11-13,15-18H2 | 4 | ||||
| 343 | 33 | 30 | 411.21580640799993 | O=C(Cn1cccn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H29N3O4/c27-21(18-26-13-5-12-24-26)25-14-10-23(11-15-25)9-4-3-7-19-6-1-2-8-20(19)29-16-17-30-22(23)28/h1-2,5-6,8,12-13H,3-4,7,9-11,14-18H2 | 4 | ||||
| 344 | 33 | 30 | 409.20015634399994 | O=C(c1ccncn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H27N3O4/c27-21(19-8-12-24-17-25-19)26-13-10-23(11-14-26)9-4-3-6-18-5-1-2-7-20(18)29-15-16-30-22(23)28/h1-2,5,7-8,12,17H,3-4,6,9-11,13-16H2 | 4 | ||||
| 345 | 37 | 34 | 475.1970430359999 | O=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H28F3NO4/c27-26(28,29)21-10-8-20(9-11-21)23(31)30-15-13-25(14-16-30)12-4-3-6-19-5-1-2-7-22(19)33-17-18-34-24(25)32/h1-2,5,7-11H,3-4,6,12-18H2 | 4 | ||||
| 346 | 39 | 35 | 474.25185756799993 | Cn1cc(CC(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c2ccccc21 | InChI=1S/C29H34N2O4/c1-30-21-23(24-10-3-4-11-25(24)30)20-27(32)31-16-14-29(15-17-31)13-7-6-9-22-8-2-5-12-26(22)34-18-19-35-28(29)33/h2-5,8,10-12,21H,6-7,9,13-20H2,1H3 | 5 | ||||
| 347 | 34 | 31 | 423.21580640800005 | Nc1ncccc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H29N3O4/c25-21-19(8-5-13-26-21)22(28)27-14-11-24(12-15-27)10-4-3-7-18-6-1-2-9-20(18)30-16-17-31-23(24)29/h1-2,5-6,8-9,13H,3-4,7,10-12,14-17H2,(H2,25,26) | 4 | ||||
| 348 | 32 | 29 | 414.1613283119999 | O=C(c1cscn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H26N2O4S/c25-20(18-15-29-16-23-18)24-11-9-22(10-12-24)8-4-3-6-17-5-1-2-7-19(17)27-13-14-28-21(22)26/h1-2,5,7,15-16H,3-4,6,8-14H2 | 4 | ||||
| 349 | 38 | 34 | 460.2362075039999 | Cn1cc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c2ccccc21 | InChI=1S/C28H32N2O4/c1-29-20-23(22-10-3-4-11-24(22)29)26(31)30-16-14-28(15-17-30)13-7-6-9-21-8-2-5-12-25(21)33-18-19-34-27(28)32/h2-5,8,10-12,20H,6-7,9,13-19H2,1H3 | 5 | ||||
| 350 | 36 | 33 | 471.18125073999994 | O=C(COc1cccc(Cl)c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C26H30ClNO5/c27-21-8-5-9-22(18-21)33-19-24(29)28-14-12-26(13-15-28)11-4-3-7-20-6-1-2-10-23(20)31-16-17-32-25(26)30/h1-2,5-6,8-10,18H,3-4,7,11-17,19H2 | 4 | ||||
| 351 | 33 | 30 | 411.21580640799993 | Cn1cnc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c1 | InChI=1S/C23H29N3O4/c1-25-16-19(24-17-25)21(27)26-12-10-23(11-13-26)9-5-4-7-18-6-2-3-8-20(18)29-14-15-30-22(23)28/h2-3,6,8,16-17H,4-5,7,9-15H2,1H3 | 4 | ||||
| 352 | 30 | 28 | 388.236207504 | CN(C)CC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H32N2O4/c1-23(2)17-20(25)24-13-11-22(12-14-24)10-6-5-8-18-7-3-4-9-19(18)27-15-16-28-21(22)26/h3-4,7,9H,5-6,8,10-17H2,1-2H3 | 3 | ||||
| 353 | 37 | 33 | 448.21105537599993 | O=C(c1ccc2[nH]nnc2c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H28N4O4/c30-23(19-8-9-20-21(17-19)27-28-26-20)29-13-11-25(12-14-29)10-4-3-6-18-5-1-2-7-22(18)32-15-16-33-24(25)31/h1-2,5,7-9,17H,3-4,6,10-16H2,(H,26,27,28) | 5 | ||||
| 354 | 33 | 30 | 408.2049073759999 | O=C(c1ccncc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H28N2O4/c27-22(20-8-13-25-14-9-20)26-15-11-24(12-16-26)10-4-3-6-19-5-1-2-7-21(19)29-17-18-30-23(24)28/h1-2,5,7-9,13-14H,3-4,6,10-12,15-18H2 | 4 | ||||
| 355 | 35 | 32 | 438.21547205999997 | COc1ncccc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C25H30N2O5/c1-30-22-20(9-6-14-26-22)23(28)27-15-12-25(13-16-27)11-5-4-8-19-7-2-3-10-21(19)31-17-18-32-24(25)29/h2-3,6-7,9-10,14H,4-5,8,11-13,15-18H2,1H3 | 4 | ||||
| 356 | 35 | 32 | 438.2154720599999 | COc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)cn1 | InChI=1S/C25H30N2O5/c1-30-22-10-9-20(18-26-22)23(28)27-14-12-25(13-15-27)11-5-4-7-19-6-2-3-8-21(19)31-16-17-32-24(25)29/h2-3,6,8-10,18H,4-5,7,11-17H2,1H3 | 4 | ||||
| 357 | 34 | 31 | 423.21580640799993 | Nc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)cn1 | InChI=1S/C24H29N3O4/c25-21-9-8-19(17-26-21)22(28)27-13-11-24(12-14-27)10-4-3-6-18-5-1-2-7-20(18)30-15-16-31-23(24)29/h1-2,5,7-9,17H,3-4,6,10-16H2,(H2,25,26) | 4 | ||||
| 358 | 37 | 33 | 446.2205574399999 | O=C(c1cccc2cc[nH]c12)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H30N2O4/c30-25(22-9-5-8-21-11-15-28-24(21)22)29-16-13-27(14-17-29)12-4-3-7-20-6-1-2-10-23(20)32-18-19-33-26(27)31/h1-2,5-6,8-11,15,28H,3-4,7,12-14,16-19H2 | 5 | ||||
| 359 | 33 | 30 | 411.21580640800005 | O=C(Cn1ccnc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H29N3O4/c27-21(17-25-14-11-24-18-25)26-12-9-23(10-13-26)8-4-3-6-19-5-1-2-7-20(19)29-15-16-30-22(23)28/h1-2,5,7,11,14,18H,3-4,6,8-10,12-13,15-17H2 | 4 | ||||
| 360 | 35 | 32 | 438.2154720599999 | COc1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)n1 | InChI=1S/C25H30N2O5/c1-30-22-11-6-9-20(26-22)23(28)27-15-13-25(14-16-27)12-5-4-8-19-7-2-3-10-21(19)31-17-18-32-24(25)29/h2-3,6-7,9-11H,4-5,8,12-18H2,1H3 | 4 | ||||
| 361 | 37 | 33 | 446.2205574399999 | O=C(c1cc2ccccc2[nH]1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C27H30N2O4/c30-25(23-19-21-9-1-3-10-22(21)28-23)29-15-13-27(14-16-29)12-6-5-8-20-7-2-4-11-24(20)32-17-18-33-26(27)31/h1-4,7,9-11,19,28H,5-6,8,12-18H2 | 5 | ||||
| 362 | 33 | 30 | 412.21105537599993 | O=C(Cn1cncn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H28N4O4/c27-20(15-26-17-23-16-24-26)25-11-9-22(10-12-25)8-4-3-6-18-5-1-2-7-19(18)29-13-14-30-21(22)28/h1-2,5,7,16-17H,3-4,6,8-15H2 | 4 | ||||
| 363 | 34 | 31 | 424.1998219959999 | O=C(c1ccnc(O)c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C24H28N2O5/c27-21-17-19(8-12-25-21)22(28)26-13-10-24(11-14-26)9-4-3-6-18-5-1-2-7-20(18)30-15-16-31-23(24)29/h1-2,5,7-8,12,17H,3-4,6,9-11,13-16H2,(H,25,27) | 4 | ||||
| 364 | 34 | 31 | 424.21105537599993 | Nc1nccnc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C23H28N4O4/c24-20-19(25-11-12-26-20)21(28)27-13-9-23(10-14-27)8-4-3-6-17-5-1-2-7-18(17)30-15-16-31-22(23)29/h1-2,5,7,11-12H,3-4,6,8-10,13-16H2,(H2,24,26) | 4 | ||||
| 365 | 31 | 29 | 403.19948764799994 | O=C(O)CCC(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 | InChI=1S/C22H29NO6/c24-19(8-9-20(25)26)23-13-11-22(12-14-23)10-4-3-6-17-5-1-2-7-18(17)28-15-16-29-21(22)27/h1-2,5,7H,3-4,6,8-16H2,(H,25,26) | 3 | ||||
| 366 | 29 | 27 | 381.1787522039999 | CC1CC2(OC2C)C(=O)OC2CCN(C)CC=C(COC(=O)C1(C)O)C2=O | InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3 | 3 | ||||
| 367 | 42 | 40 | 555.3308361600001 | C/C(=C\C=C\[C@@H](C)c1ccccn1)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C)CC2)C=C[C@@H]1C | InChI=1S/C31H45N3O6/c1-22(26-11-6-7-16-32-26)9-8-10-23(2)29-24(3)12-13-27(39-30(37)34-19-17-33(5)18-20-34)31(4,38)15-14-25(35)21-28(36)40-29/h6-13,16,22,24-25,27,29,35,38H,14-15,17-21H2,1-5H3/b9-8+,13-12?,23-10+/t22-,24+,25-,27+,29-,31-/m1/s1 | 3 | ||||
| 368 | 19 | 18 | 248.104858992 | O=C1OCCCCCCOC(=O)c2ccccc21 | InChI=1S/C14H16O4/c15-13-11-7-3-4-8-12(11)14(16)18-10-6-2-1-5-9-17-13/h3-4,7-8H,1-2,5-6,9-10H2 | 2 | ||||
| 369 | 31 | 29 | 375.16818752 | [H][C@]12CCN3CC=C(COC(=O)[C@](C)(OC(C)=O)C(=C)CC(=CC)C(=O)O1)[C@@]32[H] | InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/t16-,17-,20-/m1/s1 | 3 | ||||
| 370 | 26 | 24 | 333.15762283600003 | C=C1CC(=CC)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 | InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/t14-,15-,18-/m1/s1 | 3 | ||||
| 371 | 29 | 27 | 351.16818752000006 | [H][C@]12CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@H](C)C/C(=C/C)C(=O)O1)[C@]23[H] | InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m1/s1 | 3 | ||||
| 372 | 28 | 26 | 335.17327290000003 | [H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)CC(=CC)C(=O)O1)[C@@]32[H] | InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11-,14-,15-,18-/m1/s1 | 3 | ||||
| 373 | 22 | 21 | 290.115423676 | C[C@H]1CCCC=CC(=O)c2c(O)cc(O)cc2CC(=O)O1 | InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/t10-/m0/s1 | 2 | ||||
| 374 | 37 | 33 | 453.21513771199994 | COc1cc2c(cc1OC)C1CC(CC3CCCCN31)OC(=O)CC(O)c1ccc(O)c-2c1 | InChI=1S/C26H31NO6/c1-31-24-12-18-19(13-25(24)32-2)21-11-17(10-16-5-3-4-8-27(16)21)33-26(30)14-23(29)15-6-7-22(28)20(18)9-15/h6-7,9,12-13,16-17,21,23,28-29H,3-5,8,10-11,14H2,1-2H3 | 5 | ||||
| 375 | 41 | 39 | 540.2220139839999 | CCC(C)=C1OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O | InChI=1S/C27H32N4O8/c1-5-14(2)23-27(37)38-16(4)20(31-25(35)21-19(32)9-7-11-29-21)24(34)30-18(12-17-8-6-10-28-13-17)22(33)15(3)26(36)39-23/h6-11,13,15-16,18,20,22,32-33H,5,12H2,1-4H3,(H,30,34)(H,31,35)/t15-,16-,18+,20+,22+/m1/s1 | 3 | ||||
| 376 | 32 | 29 | 404.2562742519999 | CC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O)C[C@H]4CC[C@H]3[C@@H]2CC(=O)O1 | InChI=1S/C24H36O5/c1-3-16-5-4-6-22(26)13(2)24(28)21-11-19-17(20(21)12-23(27)29-16)8-7-14-9-15(25)10-18(14)19/h11,13-20,22,25-26H,3-10,12H2,1-2H3/t13-,14-,15-,16+,17-,18-,19-,20+,22+/m1/s1 | 4 | ||||
| 377 | 22 | 21 | 292.13107374 | C[C@H]1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1 | InChI=1S/C16H20O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h7,9-10,17,19H,2-6,8H2,1H3/t10-/m0/s1 | 2 | ||||
| 378 | 46 | 42 | 590.3454831800001 | CC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 | InChI=1S/C33H50O9/c1-7-20-9-8-10-27(34)17(2)29(36)26-15-24-22(25(26)16-28(35)41-20)12-11-19-13-21(14-23(19)24)42-33-32(39-6)31(38-5)30(37-4)18(3)40-33/h11-12,15,17-25,27,30-34H,7-10,13-14,16H2,1-6H3/t17-,18+,19-,20+,21-,22-,23-,24-,25+,27+,30+,31-,32-,33+/m1/s1 | 5 | ||||
| 379 | 36 | 32 | 435.20457302799997 | COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)C=Cc1ccc(O)c-2c1 | InChI=1S/C26H29NO5/c1-30-24-14-19-20(15-25(24)31-2)22-13-18(12-17-5-3-4-10-27(17)22)32-26(29)9-7-16-6-8-23(28)21(19)11-16/h6-9,11,14-15,17-18,22,28H,3-5,10,12-13H2,1-2H3/t17-,18-,22-/m0/s1 | 5 | ||||
| 380 | 34 | 32 | 454.16593502399996 | O=C(C[C@@H]1CC=CCCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1 | InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-23(29)15-20-9-5-2-6-10-24(30)32-22(17-28-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,29)(H,28,31)/t20-,22-/m0/s1 | 3 | ||||
| 381 | 47 | 43 | 606.376783308 | CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@@H](C=C5C(=O)[C@H](C)[C@@H](O)CCC[C@H](CC)OC(=O)C[C@H]54)[C@@H]3C2)[C@@H]1OC | InChI=1S/C34H54O9/c1-7-21-10-9-11-28(35)18(3)30(37)27-16-25-23(26(27)17-29(36)42-21)13-12-20-14-22(15-24(20)25)43-34-33(39-6)32(40-8-2)31(38-5)19(4)41-34/h16,18-26,28,31-35H,7-15,17H2,1-6H3/t18-,19+,20-,21+,22-,23-,24-,25-,26+,28+,31+,32-,33-,34+/m1/s1 | 5 | ||||
| 382 | 54 | 50 | 715.45067652 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)[C@@]3(O[C@@]1(C)[C@H](O)[C@H]3C)O2 | InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31+,33+,34-,35-,36-,37+/m1/s1 | 5 | ||||
| 383 | 27 | 26 | 365.183837584 | CC=C1C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O | InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/t12-,15-,19-/m1/s1 | 2 | ||||
| 384 | 75 | 69 | 972.1080103840002 | O=C(O)CC(C(=O)OC1C2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC1C(O)C(OC(=O)c1cc(O)c(O)c(O)c1)O2)C1c2c(cc(O)c(O)c2O)C(=O)OC1C(=O)O | InChI=1S/C41H32O28/c42-13-1-8(2-14(43)24(13)49)36(59)69-41-31(56)34-32(66-40(63)12(6-19(47)48)23-22-11(5-17(46)27(52)30(22)55)38(61)67-33(23)35(57)58)18(65-41)7-64-37(60)9-3-15(44)25(50)28(53)20(9)21-10(39(62)68-34)4-16(45)26(51)29(21)54/h1-5,12,18,23,31-34,41-46,49-56H,6-7H2,(H,47,48)(H,57,58) | 7 | ||||
| 385 | 28 | 26 | 367.16310214000003 | CC=C1C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14-,15-,18-,19?/m1/s1 | 3 | ||||
| 386 | 33 | 35 | 612.948874492 | CSC1=NN=Cc2cccc3c2[O][Cu][O]c2c(cccc2C(=O)[O][Cu][O]C3=O)C=N1.O.O.O.O.O | InChI=1S/C18H15N3O6S.2Cu.5H2O/c1-28-18(19-8-10-4-2-6-12(14(10)22)16(24)25)21-20-9-11-5-3-7-13(15(11)23)17(26)27;;;;;;;/h2-9,22-23H,1H3,(H,24,25)(H,26,27);;;5*1H2/q;2*+2;;;;;/p-4 | 4 | ||||
| 387 | 13 | 13 | 184.14632988 | O=C1CCCCCCCCCCO1 | InChI=1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2 | 1 | ||||
| 388 | 29 | 29 | 403.18423150799987 | O.O.[H][C@]12C3=CC[N+]1([O-])CC[C@H]2OC(=O)/C(=C\C)CC(C)C(O)(CO)C(=O)OC3 | InChI=1S/C18H25NO7.2H2O/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21;;/h3-4,11,14-15,20,23H,5-10H2,1-2H3;2*1H2/b12-3-;;/t11?,14-,15-,18?,19?;;/m1../s1 | 3 | ||||
| 389 | 30 | 28 | 337.1889229640001 | [H][C@@]12CCN3CC[C@@]([H])(OC(=O)/C(=C\C)C[C@]([H])(C)[C@@](C)(O)C(=O)OC1)[C@]32[H] | InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13+,14+,15+,18+/m0/s1 | 3 | ||||
| 390 | 26 | 24 | 337.18892296399997 | C/C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23 | InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4- | 3 | ||||
| 391 | 27 | 25 | 351.16818751999995 | C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14+,15+,18+/m0/s1 | 3 | ||||
| 392 | 32 | 31 | 441.199881572 | CC(=O)O[C@@]1(C)C(=O)OC/C2=C/CN(C)CCC(OC(=O)[C@@](O)([C@H](C)O)C[C@H]1C)C2=O | InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13+,16?,20-,21+/m1/s1 | 2 | ||||
| 393 | 29 | 27 | 381.1787522039999 | CC1C[C@@]2(O[C@H]2C)C(=O)OC2CCN(C)C/C=C(/COC(=O)C1(C)O)C2=O | InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11?,12-,14?,18?,19-/m0/s1 | 3 | ||||
| 394 | 49 | 45 | 592.361133244 | [H][C@@]12C=C[C@]3([H])C[C@@H](OC4OC(C)C(OC)C(OC)C4OC)CC3[C@]1([H])CC1C(=O)[C@H](C)[C@@H](O)CCC[C@H](CC)OC(=O)CC12 | InChI=1S/C33H52O9/c1-7-20-9-8-10-27(34)17(2)29(36)26-15-24-22(25(26)16-28(35)41-20)12-11-19-13-21(14-23(19)24)42-33-32(39-6)31(38-5)30(37-4)18(3)40-33/h11-12,17-27,30-34H,7-10,13-16H2,1-6H3/t17-,18?,19-,20+,21-,22-,23?,24-,25?,26?,27+,30?,31?,32?,33?/m1/s1 | 5 | ||||
| 395 | 22 | 21 | 292.167459248 | COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCCCCC2 | InChI=1S/C17H24O4/c1-12-8-6-4-3-5-7-9-13-10-14(18)11-15(20-2)16(13)17(19)21-12/h10-12,18H,3-9H2,1-2H3/t12-/m0/s1 | 2 | ||||
| 396 | 14 | 14 | 200.104858992 | O=C1CCCCC(=O)OCCCCO1 | InChI=1S/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2 | 1 | ||||
| 397 | 49 | 45 | 634.0806138639999 | O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC(C2O)C1O)c1cc(O)c(O)c(O)c1 | InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2 | 5 | ||||
| 398 | 76 | 68 | 952.0817956360003 | O=C1OC2C3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c4c2C2C1=CC(=O)C(O)(O4)C2(O)O)C(OC(=O)c1cc(O)c(O)c(O)c1)O3 | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2 | 9 | ||||
| 399 | 75 | 68 | 954.0974457000004 | O=C(O)CC1C(=O)OC2C3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c4c2C1C(O)C(=O)O4)C(OC(=O)c1cc(O)c(O)c(O)c1)O3 | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48) | 8 | ||||
| 400 | 77 | 69 | 952.0817956360003 | [H][C@]12C3=CC(=O)[C@](O)(Oc4c(O)c(O)cc(c41)C(=O)O[C@H]1[C@H](OC(=O)c4cc(O)c(O)c(O)c4)O[C@@H]4COC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)O[C@H]1[C@@H]4OC3=O)C2(O)O | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1 | 9 | ||||
| 401 | 22 | 21 | 292.13107374 | C[C@H]1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1 | InChI=1S/C16H20O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h7,9-10,17,19H,2-6,8H2,1H3/t10-/m0/s1 | 2 | ||||
| 402 | 28 | 25 | 337.18892296399997 | [H][C@]12[C@@H]3CCN1CC[C@H]2OC(=O)C[C@]1(C)C[C@@H](C)[C@@](C)(O1)C(=O)OC3 | InChI=1S/C18H27NO5/c1-11-8-17(2)9-14(20)23-13-5-7-19-6-4-12(15(13)19)10-22-16(21)18(11,3)24-17/h11-13,15H,4-10H2,1-3H3/t11-,12-,13-,15-,17+,18-/m1/s1 | 4 | ||||
| 403 | 29 | 27 | 369.178752204 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)C(O)(CO)C(C)[C@H](C)C(C)(O)C(=O)OC3 | InChI=1S/C18H27NO7/c1-10-11(2)18(24,9-20)16(22)26-13-5-7-19-6-4-12(14(13)19)8-25-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3/t10-,11?,13+,14+,17?,18?/m0/s1 | 3 | ||||
| 404 | 28 | 27 | 381.1787522039999 | C[C@H]1C/C(=C\CO)C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@]1(C)O)C2=O | InChI=1S/C19H27NO7/c1-12-10-13(6-9-21)17(23)27-15-5-8-20(3)7-4-14(16(15)22)11-26-18(24)19(12,2)25/h4,6,12,15,21,25H,5,7-11H2,1-3H3/b13-6+,14-4?/t12-,15+,19+/m0/s1 | 2 | ||||
| 405 | 29 | 26 | 351.16818751999995 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)C1(C[C@@H](C)[C@@](C)(O)C(=O)OC3)O[C@H]1C | InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18?/m1/s1 | 4 | ||||
| 406 | 25 | 23 | 321.157622836 | C/C=C1/C[C@@H](C)[C@H](O)C(=O)OCC2=C3[C@@H](CCN3CC2)OC1=O | InChI=1S/C17H23NO5/c1-3-11-8-10(2)15(19)17(21)22-9-12-4-6-18-7-5-13(14(12)18)23-16(11)20/h3,10,13,15,19H,4-9H2,1-2H3/b11-3-/t10-,13-,15+/m1/s1 | 3 | ||||
| 407 | 27 | 25 | 335.1732729 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)C(=C)[C@H](C)[C@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H25NO5/c1-10-11(2)16(20)24-14-6-8-19-7-5-13(15(14)19)9-23-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10-,12-,14+,15+,18+/m0/s1 | 3 | ||||
| 408 | 31 | 27 | 365.147452076 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)C1(O)CC2(COC1C)OC2(C)C(=O)OC3 | InChI=1S/C18H23NO7/c1-10-18(22)8-17(9-24-10)16(2,26-17)14(20)23-7-11-3-5-19-6-4-12(13(11)19)25-15(18)21/h3,10,12-13,22H,4-9H2,1-2H3/t10?,12-,13-,16?,17?,18?/m1/s1 | 5 | ||||
| 409 | 29 | 27 | 369.178752204 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)[C@@](O)([C@@H](C)O)C[C@@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H27NO7/c1-10-8-18(24,11(2)20)16(22)26-13-5-7-19-6-4-12(14(13)19)9-25-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1 | 3 | ||||
| 410 | 26 | 24 | 323.1732729 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)C(C)C(C)C(C)C(O)C(=O)OC3 | InChI=1S/C17H25NO5/c1-9-10(2)15(19)17(21)22-8-12-4-6-18-7-5-13(14(12)18)23-16(20)11(9)3/h4,9-11,13-15,19H,5-8H2,1-3H3/t9?,10?,11?,13-,14-,15?/m1/s1 | 3 | ||||
| 411 | 27 | 26 | 365.18383758399995 | C/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O | InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5+,14-6?/t12-,15+,19+/m0/s1 | 2 | ||||
| 412 | 28 | 26 | 351.16818751999995 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)C[C@@H](C)[C@](O)(CO)C(=O)OC3 | InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1 | 3 | ||||
| 413 | 31 | 27 | 365.147452076 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)[C@@]1(C[C@]2(CO2)[C@@](C)(O)C(=O)OC3)O[C@H]1C | InChI=1S/C18H23NO7/c1-10-18(26-10)8-17(9-24-17)16(2,22)14(20)23-7-11-3-5-19-6-4-12(13(11)19)25-15(18)21/h3,10,12-13,22H,4-9H2,1-2H3/t10-,12+,13+,16-,17-,18-/m0/s1 | 5 | ||||
| 414 | 28 | 26 | 349.15253745599995 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)CC(=C)[C@](O)(CO)C(=O)OC3 | InChI=1S/C18H23NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3/b12-3-/t14-,15-,18-/m1/s1 | 3 | ||||
| 415 | 27 | 25 | 335.1732729 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)C[C@@H](C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1 | 3 | ||||
| 416 | 31 | 30 | 423.18931688799995 | CC(=O)OC/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O | InChI=1S/C21H29NO8/c1-13-11-15(7-10-28-14(2)23)19(25)30-17-6-9-22(4)8-5-16(18(17)24)12-29-20(26)21(13,3)27/h5,7,13,17,27H,6,8-12H2,1-4H3/b15-7+,16-5?/t13-,17+,21+/m0/s1 | 2 | ||||
| 417 | 28 | 27 | 383.1944022679999 | CCC1C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@@](C)(O)[C@@H](C)[C@H]1O)C2=O | InChI=1S/C19H29NO7/c1-5-13-15(21)11(2)19(3,25)18(24)26-10-12-6-8-20(4)9-7-14(16(12)22)27-17(13)23/h6,11,13-15,21,25H,5,7-10H2,1-4H3/t11-,13?,14+,15+,19-/m0/s1 | 2 | ||||
| 418 | 27 | 26 | 365.18383758399995 | C/C=C1\C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O | InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5+,14-6?/t12-,15+,19-/m0/s1 | 2 | ||||
| 419 | 33 | 32 | 441.1998815719999 | [H]C1(C)CC(O)(C(C)O)C(=O)OC2CCN(C)CC=C(COC(=O)C1(C)OC(C)=O)C2=O | InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3 | 2 | ||||
| 420 | 49 | 45 | 634.0806138639999 | O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]([C@@H]1O)[C@H]2O)c1cc(O)c(O)c(O)c1 | InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19+,22+,23-,27+/m1/s1 | 5 | ||||
| 421 | 30 | 28 | 410.1035386639999 | CC1CCCC2SCC(O)(C(=O)O)C2C(=O)c2c(O)cc(O)cc2CC(=O)O1 | InChI=1S/C19H22O8S/c1-9-3-2-4-13-16(19(26,8-28-13)18(24)25)17(23)15-10(6-14(22)27-9)5-11(20)7-12(15)21/h5,7,9,13,16,20-21,26H,2-4,6,8H2,1H3,(H,24,25) | 3 | ||||
| 422 | 58 | 53 | 745.4764973440001 | CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C(C)[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 | InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24+,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1 | 6 | ||||
| 423 | 57 | 52 | 731.4608472799998 | CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 | InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1 | 6 | ||||
| 424 | 46 | 42 | 592.3611332439998 | CC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)C2C[C@H]3C4C[C@H](OC5OC(C)C(OC)C(OC)C5OC)C[C@H]4C=C[C@H]3C2CC(=O)O1 | InChI=1S/C33H52O9/c1-7-20-9-8-10-27(34)17(2)29(36)26-15-24-22(25(26)16-28(35)41-20)12-11-19-13-21(14-23(19)24)42-33-32(39-6)31(38-5)30(37-4)18(3)40-33/h11-12,17-27,30-34H,7-10,13-16H2,1-6H3/t17-,18?,19-,20+,21-,22-,23?,24-,25?,26?,27+,30?,31?,32?,33?/m1/s1 | 5 | ||||
| 425 | 35 | 34 | 487.2053608759998 | C/C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23.O=C(O)C(O)C(O)C(=O)O | InChI=1S/C18H27NO5.C4H6O6/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20;5-1(3(7)8)2(6)4(9)10/h4,11,13-15,22H,5-10H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/b12-4-; | 3 | ||||
| 426 | 35 | 34 | 441.199881572 | [H]C1([H])[C@](O)(C(C)O)C(=O)OC2CCN(C)C/C=C(/COC(=O)[C@@](C)(OC(C)=O)[C@]1([H])C)C2=O | InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13?,16?,20+,21+/m1/s1 | 2 | ||||
| 427 | 30 | 28 | 381.178752204 | [H][C@]1(C)O[C@@]12C[C@@H](C)C(C)(O)C(=O)OC/C1=C/CN(C)CCC(OC2=O)C1=O | InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14?,18?,19+/m1/s1 | 3 | ||||
| 428 | 40 | 37 | 541.1261588499999 | C[C@@H]1N[P@@](=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(F)[C@@H]2OC(=O)[C@H](C)OC1=O | InChI=1S/C22H25FN3O10P/c1-12-18(28)33-13(2)19(29)35-17-15(11-32-37(31,25-12)36-14-7-5-4-6-8-14)34-20(22(17,3)23)26-10-9-16(27)24-21(26)30/h4-10,12-13,15,17,20H,11H2,1-3H3,(H,25,31)(H,24,27,30)/t12-,13-,15+,17+,20+,22+,37-/m0/s1 | 4 | ||||
| 429 | 27 | 25 | 351.16818751999995 | C/C=C1\CC(C)C(O)(CO)C(=O)OCC2=CCN3CCC(OC1=O)C23 | InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+ | 3 | ||||
| 430 | 42 | 40 | 555.3308361600001 | CC(=CC=C[C@@H](C)c1ccccn1)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C)CC2)C=C[C@@H]1C | InChI=1S/C31H45N3O6/c1-22(26-11-6-7-16-32-26)9-8-10-23(2)29-24(3)12-13-27(39-30(37)34-19-17-33(5)18-20-34)31(4,38)15-14-25(35)21-28(36)40-29/h6-13,16,22,24-25,27,29,35,38H,14-15,17-21H2,1-5H3/t22-,24+,25-,27+,29-,31-/m1/s1 | 3 | ||||
| 431 | 40 | 37 | 541.1261588499999 | C[C@@H]1N[P@@](=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(F)[C@@H]2OC(=O)[C@H](C)OC1=O | InChI=1S/C22H25FN3O10P/c1-12-18(28)33-13(2)19(29)35-17-15(11-32-37(31,25-12)36-14-7-5-4-6-8-14)34-20(22(17,3)23)26-10-9-16(27)24-21(26)30/h4-10,12-13,15,17,20H,11H2,1-3H3,(H,25,31)(H,24,27,30)/t12-,13-,15+,17+,20+,22+,37-/m0/s1 | 4 | ||||
| 432 | 27 | 25 | 349.152537456 | C=C1CC(=CC)C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23 | InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/t14-,15-,18-,19?/m1/s1 | 3 | ||||
| 433 | 76 | 68 | 952.0817956360003 | O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2C2C1=CC(=O)[C@](O)(O3)C2(O)O | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30-,32+,33-,39-,41+/m1/s1 | 9 | ||||
| 434 | 76 | 68 | 952.0817956360003 | O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2C2C1=CC(=O)[C@](O)(O3)C2(O)O | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30-,32+,33-,39+,41+/m1/s1 | 9 | ||||
| 435 | 38 | 35 | 509.1199305979999 | C[C@@H]1N[P@@](=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2OC(=O)[C@H](C)OC1=O | InChI=1S/C21H24N3O10P/c1-12-19(26)31-13(2)20(27)33-15-10-18(24-9-8-17(25)22-21(24)28)32-16(15)11-30-35(29,23-12)34-14-6-4-3-5-7-14/h3-9,12-13,15-16,18H,10-11H2,1-2H3,(H,23,29)(H,22,25,28)/t12-,13-,15-,16+,18+,35-/m0/s1 | 4 | ||||
| 436 | 29 | 27 | 375.16818752 | C=C1CC(=CC)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)OC(C)=O)[C@H]23 | InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/t16-,17-,20-/m1/s1 | 3 | ||||
| 437 | 27 | 25 | 351.16818752 | CC=C1C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14-,15-,18-/m1/s1 | 3 | ||||
| 438 | 27 | 25 | 351.16818752 | CC=C1C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11-,14-,15-,18-,19?/m1/s1 | 3 | ||||
| 439 | 27 | 26 | 365.183837584 | CC=C1C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O | InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/t12-,15-,19-/m1/s1 | 2 | ||||
| 440 | 28 | 25 | 349.15253745599995 | CC=C1C[C@]2(CO)O[C@@]2(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/t13-,14-,17+,18-/m1/s1 | 4 | ||||
| 441 | 26 | 24 | 333.194008344 | CC=C1C[C@@H](C)C(C)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C19H27NO4/c1-5-13-10-12(2)19(3,4)18(22)23-11-14-6-8-20-9-7-15(16(14)20)24-17(13)21/h5-6,12,15-16H,7-11H2,1-4H3/t12-,15-,16-/m1/s1 | 3 | ||||
| 442 | 28 | 25 | 351.16818751999995 | C[C@@H]1C[C@@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 | InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1 | 4 | ||||
| 443 | 28 | 26 | 367.16310214 | CC=C1C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14-,15-,18-,19?/m1/s1 | 3 | ||||
| 444 | 29 | 26 | 367.16310214 | C[C@@H]1[C@@H](C)[C@]2(CO2)C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23 | InChI=1S/C18H25NO7/c1-10-11(2)18(9-25-18)16(21)26-13-5-7-19(23)6-4-12(14(13)19)8-24-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18-,19?/m1/s1 | 4 | ||||
| 445 | 29 | 26 | 365.147452076 | CC=C1C[C@@]2(CO)O[C@@]2(C)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H23NO7/c1-3-11-8-18(10-20)17(2,26-18)16(22)24-9-12-4-6-19(23)7-5-13(14(12)19)25-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/t13-,14-,17+,18+,19?/m1/s1 | 4 | ||||
| 446 | 28 | 26 | 367.16310214 | CC=C1C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14+,15+,18+,19?/m0/s1 | 3 | ||||
| 447 | 28 | 25 | 351.16818752 | C[C@@H]1[C@@H](C)[C@]2(CO2)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 | InChI=1S/C18H25NO6/c1-10-11(2)18(9-24-18)16(21)25-13-5-7-19-6-4-12(14(13)19)8-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18-/m1/s1 | 4 | ||||
| 448 | 27 | 25 | 349.15253745599995 | C=C1CC(=CC)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(O)CO)[C@H]23 | InChI=1S/C18H23NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3/t14-,15-,18-/m1/s1 | 3 | ||||
| 449 | 57 | 52 | 729.481582724 | CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5C[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 | InChI=1S/C42H67NO9/c1-10-27-12-11-13-35(52-38-17-16-34(43(5)6)25(4)49-38)24(3)39(45)33-21-31-29(32(33)22-37(44)51-27)15-14-26-19-28(20-30(26)31)50-36-18-23(2)40(46-7)42(48-9)41(36)47-8/h14-15,21,23-32,34-36,38,40-42H,10-13,16-20,22H2,1-9H3/t23-,24-,25-,26-,27+,28-,29-,30-,31-,32+,34+,35+,36-,38+,40+,41+,42-/m1/s1 | 6 | ||||
| 450 | 26 | 24 | 333.15762283600003 | C=C1CC(=CC)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 | InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/t14-,15-,18-/m1/s1 | 3 | ||||
| 451 | 57 | 52 | 733.5128828519998 | CCC1CCCC(OC2CCC(N(C)C)C(C)O2)C(C)C(=O)C2CC3C4CC(OC5CC(C)C(OC)C(OC)C5OC)CC4CCC3C2CC(=O)O1 | InChI=1S/C42H71NO9/c1-10-27-12-11-13-35(52-38-17-16-34(43(5)6)25(4)49-38)24(3)39(45)33-21-31-29(32(33)22-37(44)51-27)15-14-26-19-28(20-30(26)31)50-36-18-23(2)40(46-7)42(48-9)41(36)47-8/h23-36,38,40-42H,10-22H2,1-9H3 | 6 | ||||
| 452 | 27 | 25 | 351.16818752 | C=C1C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@H]1C)[C@H]23 | InChI=1S/C18H25NO6/c1-10-11(2)16(20)25-14-6-8-19(23)7-5-13(15(14)19)9-24-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10-,12+,14+,15+,18+,19?/m0/s1 | 3 | ||||
| 453 | 70 | 65 | 928.3576235600001 | CC=C1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O[C@H]1C[C@H](C)[C@H]2COC(=O)C[C@@H]3C(=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=CC)C(=O)OC[C@H](C)C12 | InChI=1S/C43H60O22/c1-6-19-21-9-29(46)57-14-23-17(3)8-26(31(23)18(4)13-58-39(55)25(21)16-60-40(19)64-42-36(52)34(50)32(48)27(11-44)62-42)61-30(47)10-22-20(7-2)41(59-15-24(22)38(54)56-5)65-43-37(53)35(51)33(49)28(12-45)63-43/h6-7,15-18,21-23,26-28,31-37,40-45,48-53H,8-14H2,1-5H3/t17-,18-,21-,22-,23+,26-,27+,28+,31?,32+,33+,34-,35-,36+,37+,40-,41-,42-,43-/m0/s1 | 6 | ||||
| 454 | 42 | 40 | 555.33083616 | C/C(=C\C=C\[C@@H](C)c1ccccn1)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C)CC2)C=C[C@@H]1C | InChI=1S/C31H45N3O6/c1-22(26-11-6-7-16-32-26)9-8-10-23(2)29-24(3)12-13-27(39-30(37)34-19-17-33(5)18-20-34)31(4,38)15-14-25(35)21-28(36)40-29/h6-13,16,22,24-25,27,29,35,38H,14-15,17-21H2,1-5H3/b9-8+,13-12?,23-10+/t22-,24+,25-,27+,29-,31-/m1/s1 | 3 | ||||
| 455 | 27 | 25 | 335.1732729 | [H][C@]12C3=CCN1CCC2OC(=O)C(=C)C(C)C(C)C(C)(O)C(=O)OC3 | InChI=1S/C18H25NO5/c1-10-11(2)16(20)24-14-6-8-19-7-5-13(15(14)19)9-23-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10?,12?,14?,15-,18?/m1/s1 | 3 | ||||
| 456 | 40 | 37 | 541.1261588499999 | CC1NP(=O)(Oc2ccccc2)OCC2OC(n3ccc(=O)[nH]c3=O)C(C)(F)C2OC(=O)C(C)OC1=O | InChI=1S/C22H25FN3O10P/c1-12-18(28)33-13(2)19(29)35-17-15(11-32-37(31,25-12)36-14-7-5-4-6-8-14)34-20(22(17,3)23)26-10-9-16(27)24-21(26)30/h4-10,12-13,15,17,20H,11H2,1-3H3,(H,25,31)(H,24,27,30) | 4 | ||||
| 457 | 32 | 30 | 417.25152321999997 | CC1=C[C@H]2C=C(C)[C@@H](C)C3[C@H](CC(C)C)NC(=O)[C@]32OC(=O)C=C[C@@H](O)[C@@H](O)CC1 | InChI=1S/C24H35NO5/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)30-24(17,22)23(29)25-18/h8-9,11-13,16-20,22,26-27H,6-7,10H2,1-5H3,(H,25,29)/t16-,17+,18+,19+,20-,22?,24-/m1/s1 | 3 | ||||
| 458 | 72 | 66 | 859.5558102840002 | [H][C@@]12C=C3C(=O)[C@H](C)[C@@H](O[C@H]4CC[C@H](N(C)CC(O)CN5CCNCC5)[C@@H](C)O4)CCC[C@H](CC)OC(=O)C[C@@]3([H])[C@]1([H])C=C[C@]1([H])C[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]3OC)C[C@@]21[H] | InChI=1S/C47H77N3O11/c1-9-32-11-10-12-40(61-42-16-15-39(28(3)57-42)49(5)25-31(51)26-50-19-17-48-18-20-50)27(2)43(53)38-23-36-34(37(38)24-41(52)59-32)14-13-30-21-33(22-35(30)36)60-47-46(56-8)45(55-7)44(54-6)29(4)58-47/h13-14,23,27-37,39-40,42,44-48,51H,9-12,15-22,24-26H2,1-8H3/t27-,28-,29+,30-,31?,32+,33-,34-,35-,36-,37+,39+,40+,42+,44+,45-,46-,47+/m1/s1 | 7 | ||||
| 459 | 26 | 24 | 337.18892296399997 | C/C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23 | InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4- | 3 | ||||
| 460 | 35 | 34 | 487.2053608759998 | C/C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23.O=C(O)C(O)C(O)C(=O)O | InChI=1S/C18H27NO5.C4H6O6/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20;5-1(3(7)8)2(6)4(9)10/h4,11,13-15,22H,5-10H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/b12-4-; | 3 | ||||
| 461 | 28 | 27 | 369.1787522039999 | O.[H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)C[C@H](C)[C@](O)(CO)C(=O)OC3 | InChI=1S/C18H25NO6.H2O/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21;/h3-4,11,14-15,20,23H,5-10H2,1-2H3;1H2/b12-3-;/t11-,14+,15+,18+;/m0./s1 | 3 | ||||
| 462 | 29 | 27 | 351.16818752 | [H][C@]12CCN3CC=C(COC(=O)[C@@](O)(CO)[C@H](C)C/C(=C/C)C(=O)O1)[C@@]32[H] | InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1 | 3 | ||||
| 463 | 27 | 25 | 333.157622836 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)CC(=C)[C@@](C)(O)C(=O)OC3 | InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1 | 3 | ||||
| 464 | 38 | 37 | 487.2053608759999 | O=C(O)[C@H](O)[C@@H](O)C(=O)O.[H][C@@]12CCN3CC[C@@]([H])(OC(=O)/C(=C\C)C[C@@H](C)[C@@](C)(O)C(=O)OC1)[C@]32[H] | InChI=1S/C18H27NO5.C4H6O6/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20;5-1(3(7)8)2(6)4(9)10/h4,11,13-15,22H,5-10H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/b12-4-;/t11-,13-,14-,15-,18-;1-,2-/m11/s1 | 3 | ||||
| 465 | 74 | 66 | 926.1025310800002 | O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC3C2OC(=O)C2(O)CC(O)C4(O)Oc5c(O)c(O)cc(c5C24)C(=O)OC13)c1cc(O)c(O)c(O)c1 | InChI=1S/C40H30O26/c41-12-1-8(2-13(42)22(12)47)33(53)65-37-31-30-28(64-38(57)39(58)6-18(46)40(59)32(39)21-11(36(56)63-31)5-16(45)25(50)29(21)66-40)17(61-37)7-60-34(54)9-3-14(43)23(48)26(51)19(9)20-10(35(55)62-30)4-15(44)24(49)27(20)52/h1-5,17-18,28,30-32,37,41-52,58-59H,6-7H2 | 9 | ||||
| 466 | 40 | 39 | 536.3349184959999 | [H][C@]1([C@H](C)[C@@H](O)CC)O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C | InChI=1S/C30H48O8/c1-8-24(33)21(5)29-25(37-29)16-18(2)10-9-11-19(3)28-20(4)12-13-26(36-22(6)31)30(7,35)15-14-23(32)17-27(34)38-28/h9-13,18,20-21,23-26,28-29,32-33,35H,8,14-17H2,1-7H3/b10-9+,13-12+,19-11+/t18-,20+,21-,23-,24+,25-,26+,28-,29-,30-/m1/s1 | 2 | ||||
| 467 | 42 | 40 | 555.3308361599999 | C/C(=C\C=C\[C@@H](C)c1ccccn1)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C)CC2)/C=C/[C@@H]1C | InChI=1S/C31H45N3O6/c1-22(26-11-6-7-16-32-26)9-8-10-23(2)29-24(3)12-13-27(39-30(37)34-19-17-33(5)18-20-34)31(4,38)15-14-25(35)21-28(36)40-29/h6-13,16,22,24-25,27,29,35,38H,14-15,17-21H2,1-5H3/b9-8+,13-12+,23-10+/t22-,24+,25-,27+,29-,31-/m1/s1 | 3 | ||||
| 468 | 27 | 25 | 351.16818751999995 | C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1 | 3 | ||||
| 469 | 57 | 52 | 731.4608472799999 | CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 | InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1 | 6 | ||||
| 470 | 51 | 48 | 669.144217164 | O=C(N[C@H]1COC(=O)[C@@H](NC(=O)c2cccc(O)c2O)COC(=O)[C@@H](NC(=O)c2cccc(O)c2O)COC1=O)c1cccc(O)c1O | InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1 | 4 | ||||
| 471 | 28 | 26 | 333.15762283600003 | [H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)C(=C)C/C(=C/C)C(=O)O1)[C@@]32[H] | InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1 | 3 | ||||
| 472 | 75 | 68 | 954.0974457000003 | O=C(O)CC1C(=O)O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2C1C(O)C(=O)O3 | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12?,18-,22?,30?,31-,33+,34-,41-/m1/s1 | 8 | ||||
| 473 | 26 | 24 | 335.1732729 | C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1 | 3 | ||||
| 474 | 76 | 68 | 952.0817956360003 | O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1 | 9 | ||||
| 475 | 49 | 45 | 634.0806138639999 | O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@H]1O)[C@@H]2O)c1cc(O)c(O)c(O)c1 | InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1 | 5 | ||||
| 476 | 74 | 66 | 926.1025310800002 | O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC3C2OC(=O)C2(O)CC(O)C4(O)Oc5c(O)c(O)cc(c5C24)C(=O)OC13)c1cc(O)c(O)c(O)c1 | InChI=1S/C40H30O26/c41-12-1-8(2-13(42)22(12)47)33(53)65-37-31-30-28(64-38(57)39(58)6-18(46)40(59)32(39)21-11(36(56)63-31)5-16(45)25(50)29(21)66-40)17(61-37)7-60-34(54)9-3-14(43)23(48)26(51)19(9)20-10(35(55)62-30)4-15(44)24(49)27(20)52/h1-5,17-18,28,30-32,37,41-52,58-59H,6-7H2 | 9 | ||||
| 477 | 42 | 40 | 555.3308361599999 | C/C(=C\C=C\[C@@H](C)c1ccccn1)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C)CC2)/C=C/[C@@H]1C | InChI=1S/C31H45N3O6/c1-22(26-11-6-7-16-32-26)9-8-10-23(2)29-24(3)12-13-27(39-30(37)34-19-17-33(5)18-20-34)31(4,38)15-14-25(35)21-28(36)40-29/h6-13,16,22,24-25,27,29,35,38H,14-15,17-21H2,1-5H3/b9-8+,13-12+,23-10+/t22-,24+,25-,27+,29-,31-/m1/s1 | 3 | ||||
| 478 | 40 | 39 | 536.3349184959999 | [H][C@]1([C@H](C)[C@@H](O)CC)O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C | InChI=1S/C30H48O8/c1-8-24(33)21(5)29-25(37-29)16-18(2)10-9-11-19(3)28-20(4)12-13-26(36-22(6)31)30(7,35)15-14-23(32)17-27(34)38-28/h9-13,18,20-21,23-26,28-29,32-33,35H,8,14-17H2,1-7H3/b10-9+,13-12+,19-11+/t18-,20+,21-,23-,24+,25-,26+,28-,29-,30-/m1/s1 | 2 | ||||
| 479 | 51 | 48 | 669.144217164 | O=C(N[C@H]1COC(=O)[C@@H](NC(=O)c2cccc(O)c2O)COC(=O)[C@@H](NC(=O)c2cccc(O)c2O)COC1=O)c1cccc(O)c1O | InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1 | 4 | ||||
| 480 | 27 | 25 | 351.16818751999995 | C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1 | 3 | ||||
| 481 | 57 | 52 | 731.4608472799999 | CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 | InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1 | 6 | ||||
| 482 | 75 | 68 | 954.0974457000003 | O=C(O)CC1C(=O)O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2C1C(O)C(=O)O3 | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12?,18-,22?,30?,31-,33+,34-,41-/m1/s1 | 8 | ||||
| 483 | 26 | 24 | 335.1732729 | C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1 | 3 | ||||
| 484 | 28 | 26 | 333.15762283600003 | [H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)C(=C)C/C(=C/C)C(=O)O1)[C@@]32[H] | InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1 | 3 | ||||
| 485 | 76 | 68 | 952.0817956360003 | O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1 | 9 | ||||
| 486 | 49 | 45 | 634.0806138639999 | O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@H]1O)[C@@H]2O)c1cc(O)c(O)c(O)c1 | InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1 | 5 | ||||
| 487 | 22 | 21 | 290.115423676 | CC1CCC/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1 | InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/b6-4+ | 2 | ||||
| 488 | 30 | 28 | 410.10353866399987 | CC1CCCC2SCC(O)(C(=O)O)C2C(=O)c2c(O)cc(O)cc2CC(=O)O1 | InChI=1S/C19H22O8S/c1-9-3-2-4-13-16(19(26,8-28-13)18(24)25)17(23)15-10(6-14(22)27-9)5-11(20)7-12(15)21/h5,7,9,13,16,20-21,26H,2-4,6,8H2,1H3,(H,24,25) | 3 | ||||
| 489 | 31 | 29 | 401.2566086 | CC1=CC2/C=C(\C)CCCC(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C | InChI=1S/C24H35NO4/c1-14(2)11-20-22-17(5)16(4)13-18-12-15(3)7-6-8-19(26)9-10-21(27)29-24(18,22)23(28)25-20/h9-10,12-14,17-20,22,26H,6-8,11H2,1-5H3,(H,25,28)/b10-9+,15-12+ | 3 | ||||
| 490 | 22 | 21 | 292.13107374 | CC1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1 | InChI=1S/C16H20O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h7,9-10,17,19H,2-6,8H2,1H3 | 2 | ||||
| 491 | 24 | 22 | 306.11033829599995 | CC1CCCC2OC2C(=O)c2c(O)cc(O)cc2CC(=O)O1 | InChI=1S/C16H18O6/c1-8-3-2-4-12-16(22-12)15(20)14-9(6-13(19)21-8)5-10(17)7-11(14)18/h5,7-8,12,16-18H,2-4,6H2,1H3 | 3 | ||||
| 492 | 75 | 68 | 954.0974457000002 | O=C(O)C[C@@H]1C(=O)O[C@@H]2C3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]2C(OC(=O)c2cc(O)c(O)c4c2[C@H]1[C@H](O)C(=O)O4)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O3 | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18?,22-,30-,31+,33+,34?,41-/m0/s1 | 8 | ||||
| 493 | 22 | 21 | 292.167459248 | COc1cc(O)cc2c1C(=O)OC(C)CCCCCCC2 | InChI=1S/C17H24O4/c1-12-8-6-4-3-5-7-9-13-10-14(18)11-15(20-2)16(13)17(19)21-12/h10-12,18H,3-9H2,1-2H3 | 2 | ||||
| 494 | 32 | 30 | 417.25152322 | CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)OC23C(=O)NC(CC(C)C)C3C1C | InChI=1S/C24H35NO5/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)30-24(17,22)23(29)25-18/h8-9,11-13,16-20,22,26-27H,6-7,10H2,1-5H3,(H,25,29)/b9-8+,14-11+ | 3 | ||||
| 495 | 49 | 45 | 634.0806138639999 | O=C(O[C@@H]1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H](C1O)[C@@H]2O)c1cc(O)c(O)c(O)c1 | InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13?,19-,22?,23-,27+/m1/s1 | 5 | ||||
| 496 | 38 | 34 | 463.23587315599997 | C/C1=C/CC(=O)OC23C(=O)NC(Cc4ccccc4)C2C(C)C2(C)OC2C3/C=C/CC(C)C1=O | InChI=1S/C28H33NO5/c1-16-9-8-12-20-25-27(4,34-25)18(3)23-21(15-19-10-6-5-7-11-19)29-26(32)28(20,23)33-22(30)14-13-17(2)24(16)31/h5-8,10-13,16,18,20-21,23,25H,9,14-15H2,1-4H3,(H,29,32)/b12-8+,17-13- | 5 | ||||
| 497 | 37 | 35 | 496.1216908279998 | COc1c(O)cc2c(c1O)C(=O)OC(C)C(O)c1c(O)c(O)c(OC)c(O)c1C(=O)OC(C)C2O | InChI=1S/C22H24O13/c1-6-13(24)8-5-9(23)19(32-3)16(27)10(8)21(30)35-7(2)14(25)11-12(22(31)34-6)17(28)20(33-4)18(29)15(11)26/h5-7,13-14,23-29H,1-4H3 | 3 | ||||
| 498 | 23 | 22 | 308.12598835999995 | CC1CCCC(O)CC(=O)Cc2cc(O)cc(O)c2C(=O)O1 | InChI=1S/C16H20O6/c1-9-3-2-4-11(17)7-12(18)5-10-6-13(19)8-14(20)15(10)16(21)22-9/h6,8-9,11,17,19-20H,2-5,7H2,1H3 | 2 | ||||
| 499 | 34 | 33 | 469.303952716 | C[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@H](O[C@H]2[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@@H](C)[C@@H]([C@@H](C)O)OC(=O)[C@@H]2C)O1 | InChI=1S/C25H43NO7/c1-13-9-10-20(28)14(2)11-15(3)22(17(5)24(30)32-23(13)18(6)27)33-25-21(29)19(26(7)8)12-16(4)31-25/h9-10,13-19,21-23,25,27,29H,11-12H2,1-8H3/b10-9+/t13-,14-,15+,16-,17-,18-,19+,21-,22+,23+,25+/m1/s1 | 2 | ||||
| 500 | 61 | 56 | 786.0915724720002 | O=C(O[C@@H]1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H](C1O)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 | InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)54-28-18-7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(6-17(40)24(44)26(20)46)33(51)55-29(28)27(47)34(53-18)56-31(49)9-3-14(37)22(42)15(38)4-9/h1-6,18,27-29,34-47H,7H2/t18?,27?,28-,29+,34+/m1/s1 | 6 | ||||
| 501 | 50 | 46 | 654.2159851359999 | COC(c1ccc(O)c(O)c1)C1C(=O)OC[C@H]2O[C@@H](OCCc3cc(O)c(O)cc31)[C@H](O)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@@H]2O | InChI=1S/C30H38O16/c1-11-21(35)23(37)24(38)30(44-11)46-27-22(36)19-10-43-28(40)20(26(41-2)13-3-4-15(31)16(32)8-13)14-9-18(34)17(33)7-12(14)5-6-42-29(45-19)25(27)39/h3-4,7-9,11,19-27,29-39H,5-6,10H2,1-2H3/t11-,19+,20?,21-,22+,23+,24+,25+,26?,27-,29+,30-/m0/s1 | 5 | ||||
| 502 | 23 | 21 | 290.115423676 | CC1CCCC2CC(=O)c3c(cc(O)cc3O2)CC(=O)O1 | InChI=1S/C16H18O5/c1-9-3-2-4-12-8-13(18)16-10(6-15(19)20-9)5-11(17)7-14(16)21-12/h5,7,9,12,17H,2-4,6,8H2,1H3 | 4 |