11-dehydro-15-oxo spinosyn macrolactone

Properties Image MNX_ID MNXM97371 reference metacycM:CPD-14628 formula C24H34O5 global charge 0 mol weight 402.531 InChIKey JEKALMRMHDPSQK-UFLMJPHWSA-N InChI InChI=1S/C24H34O5/c1-3-21-15-12-17-23(27)19(2)22(26)16-10-7-9-14-20(25)13-8-5-4-6-11-18-24(28)29-21/h4-11,16,18-21,23,25,27H,3,12-15,17H2,1-2H3/b6-4+,8-5+,9-7-,16-10+,18-11+/t19-,20+,21-,23-/m0/s1 SMILES CC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)/C=C/C=C\C[C@H](O)C/C=C/C=C/C=C/C(=O)O1 MNX internals InChI (mnx) InChI=1/C24H34O5/c1-3-21-15-12-17-23(27)19(2)22(26)16-10-7-9-14-20(25)13-8-5-4-6-11-18-24(28)29-21/h4-11,16,18-21,23,25,27H,3,12-15,17H2,1-2H3/b6-4+,8-5+,9-7-,16-10+,18-11+/t19-,20+,21-,23-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:21]1[CH2:15][CH2:12][CH2:17][C@H:23]([OH:27])[C@@H:19]([CH3:2])[C:22](=[O:26])/[CH:16]=[CH:10]/[CH:7]=[CH:9]\[CH2:14][C@H:20]([OH:25])[CH2:13]/[CH:8]=[CH:5]/[CH:4]=[CH:6]/[CH:11]=[CH:18]/[C:24](=[O:28])[O:29]1

Parent-child relations graph

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