3-Epimasticadienolic acid

Properties Image MNX_ID MNXM117406 reference chebi:192010 formula C30H48O3 global charge 0 mol weight 456.711 InChIKey UILQHUKSFUOOLH-KEBDBYFISA-N InChI InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+ SMILES C/C(=C\CCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(=O)O MNX internals InChI (mnx) InChI=1/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+/t19?,21?,22?,24?,25?,28?,29?,30? SMILES (mnx) [CH3:1][CH:19]([CH2:9][CH2:8]/[CH:10]=[C:20](\[CH3:2])[C:26](=[O:32])[OH:33])[CH:21]1[CH2:13][CH2:17][C:30]2([CH3:7])[C:23]3=[CH:11][CH2:12][CH:24]4[C:27]([CH3:3])([CH3:4])[CH:25]([OH:31])[CH2:15][CH2:16][C:28]4([CH3:5])[CH:22]3[CH2:14][CH2:18][C:29]12[CH3:6]

Parent-child relations graph

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