3-Hydroxycycloart-24-en-21-oic acid

Properties Image MNX_ID MNXM117471 reference hmdb:HMDB0038177 formula C30H48O3 global charge 0 mol weight 456.711 InChIKey ATCKKDRMJPISRM-UHFFFAOYSA-N InChI InChI=1S/C30H48O3/c1-19(2)8-7-9-20(25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h8,20-24,31H,7,9-18H2,1-6H3,(H,32,33) SMILES CC(C)=CCCC(C(=O)O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C MNX internals InChI (mnx) InChI=1/C30H48O3/c1-19(2)8-7-9-20(25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h8,20-24,31H,7,9-18H2,1-6H3,(H,32,33)/t20?,21?,22?,23?,24?,27?,28?,29?,30? SMILES (mnx) [CH3:1][C:19]([CH3:2])=[CH:8][CH2:7][CH2:9][CH:20]([CH:21]1[CH2:12][CH2:14][C:28]2([CH3:6])[CH:23]3[CH2:11][CH2:10][CH:22]4[C:26]([CH3:3])([CH3:4])[CH:24]([OH:31])[CH2:13][CH2:15][C:29]45[CH2:18][C:30]35[CH2:17][CH2:16][C:27]12[CH3:5])[C:25](=[O:32])[OH:33]

Parent-child relations graph

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