Hebevinoside IV

Properties Image MNX_ID MNXM126375 reference chebi:172771 formula C36H60O7 global charge 0 mol weight 604.869 InChIKey AKDNVAKNWZMAKY-ILFBRDFMSA-N InChI InChI=1S/C36H60O7/c1-20(2)11-10-12-21(3)28-24(37)18-36(8)31-26(41-9)17-23-22(34(31,6)15-16-35(28,36)7)13-14-27(33(23,4)5)43-32-30(40)29(39)25(38)19-42-32/h11,17,21-22,24-32,37-40H,10,12-16,18-19H2,1-9H3/t21-,22+,24-,25-,26?,27?,28+,29+,30-,31?,32+,34-,35-,36+/m1/s1 SMILES COC1C=C2[C@H](CCC(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)[C@@]2(C)CC[C@]3(C)[C@@H]([C@H](C)CCC=C(C)C)[C@H](O)C[C@@]3(C)C12 MNX internals InChI (mnx) InChI=1/C36H60O7/c1-20(2)11-10-12-21(3)28-24(37)18-36(8)31-26(41-9)17-23-22(34(31,6)15-16-35(28,36)7)13-14-27(33(23,4)5)43-32-30(40)29(39)25(38)19-42-32/h11,17,21-22,24-32,37-40H,10,12-16,18-19H2,1-9H3/t21-,22+,24-,25-,26?,27?,28+,29+,30-,31?,32+,34-,35-,36+/m1/s1 SMILES (mnx) [CH3:1][C:20]([CH3:2])=[CH:11][CH2:10][CH2:12][C@@H:21]([CH3:3])[C@H:28]1[C@H:24]([OH:37])[CH2:18][C@@:36]2([CH3:8])[CH:31]3[CH:26]([O:41][CH3:9])[CH:17]=[C:23]4[C@H:22]([CH2:13][CH2:14][CH:27]([O:43][C@H:32]5[C@H:30]([OH:40])[C@@H:29]([OH:39])[C@H:25]([OH:38])[CH2:19][O:42]5)[C:33]4([CH3:4])[CH3:5])[C@@:34]3([CH3:6])[CH2:15][CH2:16][C@:35]12[CH3:7]

Parent-child relations graph

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