15-oxo spinosyn macrolactone

Properties Image MNX_ID MNXM97373 reference metacycM:CPD-14627 formula C24H36O6 global charge 0 mol weight 420.546 InChIKey ILKUAQQLYUILBR-OCDAIGKOSA-N InChI InChI=1S/C24H36O6/c1-3-21-13-10-15-23(28)18(2)22(27)14-9-12-20(26)17-19(25)11-7-5-4-6-8-16-24(29)30-21/h4-9,12,16,18-21,23,25-26,28H,3,10-11,13-15,17H2,1-2H3/b6-4+,7-5+,12-9+,16-8+/t18-,19+,20-,21-,23-/m0/s1 SMILES CC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)C/C=C/[C@H](O)C[C@H](O)C/C=C/C=C/C=C/C(=O)O1 MNX internals InChI (mnx) InChI=1/C24H36O6/c1-3-21-13-10-15-23(28)18(2)22(27)14-9-12-20(26)17-19(25)11-7-5-4-6-8-16-24(29)30-21/h4-9,12,16,18-21,23,25-26,28H,3,10-11,13-15,17H2,1-2H3/b6-4+,7-5+,12-9+,16-8+/t18-,19+,20-,21-,23-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:21]1[CH2:13][CH2:10][CH2:15][C@H:23]([OH:28])[C@@H:18]([CH3:2])[C:22](=[O:27])[CH2:14]/[CH:9]=[CH:12]/[C@H:20]([OH:26])[CH2:17][C@H:19]([OH:25])[CH2:11]/[CH:7]=[CH:5]/[CH:4]=[CH:6]/[CH:8]=[CH:16]/[C:24](=[O:29])[O:30]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0