Ambolic acid

Properties Image MNX_ID MNXM119089 reference chebi:175693 formula C31H50O3 global charge 0 mol weight 470.738 InChIKey FCQSIIVNJCMJLB-UHFFFAOYSA-N InChI InChI=1S/C31H50O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-25,32H,1,8-18H2,2-7H3,(H,33,34) SMILES C=C(CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(C)C(=O)O MNX internals InChI (mnx) InChI=1/C31H50O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-25,32H,1,8-18H2,2-7H3,(H,33,34)/t20?,21?,22?,23?,24?,25?,28?,29?,30?,31? SMILES (mnx) [CH2:1]=[C:19]([CH2:8][CH2:9][CH:20]([CH3:2])[CH:22]1[CH2:12][CH2:14][C:29]2([CH3:7])[CH:24]3[CH2:11][CH2:10][CH:23]4[C:27]([CH3:4])([CH3:5])[CH:25]([OH:32])[CH2:13][CH2:15][C:30]45[CH2:18][C:31]35[CH2:17][CH2:16][C:28]12[CH3:6])[CH:21]([CH3:3])[C:26](=[O:33])[OH:34]

Parent-child relations graph

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