Bolegrevilol

Properties Image MNX_ID MNXM119862 reference chebi:185657 formula C28H40O4 global charge 0 mol weight 440.624 InChIKey MZWQVUHXBWQZLY-MLAGYPMBSA-N InChI InChI=1S/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-18-26(30)19-27(31)28(25)32-24(6)29/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+ SMILES CC(=O)OC1=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C=C(O)C=C1O MNX internals InChI (mnx) InChI=1/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-18-26(30)19-27(31)28(25)32-24(6)29/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+ SMILES (mnx) [CH3:1][C:20]([CH3:2])=[CH:10][CH2:7][CH2:11]/[C:21]([CH3:3])=[CH:12]/[CH2:8][CH2:13]/[C:22]([CH3:4])=[CH:14]/[CH2:9][CH2:15]/[C:23]([CH3:5])=[CH:16]/[CH2:17][C:25]1=[CH:18][C:26]([OH:30])=[CH:19][C:27]([OH:31])=[C:28]1[O:32][C:24]([CH3:6])=[O:29]

Parent-child relations graph

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