Corticatic acid B

Properties Image MNX_ID MNXM1130346 reference lipidmapsM:LMFA01031232 formula C31H44O3 global charge 0 mol weight 464.69 InChIKey ACNZSZPAYNDIRJ-OYABAQPGSA-N InChI InChI=1S/C31H44O3/c1-2-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h1,6,8,23,25-26,28,30,32H,3-5,7,9-11,13,15-22,24H2,(H,33,34)/b8-6-,25-23+,28-26+ SMILES C#CC(O)/C=C/CCCCCC#CC/C=C\CCCCCCCCCCC/C=C/C#CC(=O)O MNX internals InChI (mnx) InChI=1/C31H44O3/c1-2-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h1,6,8,23,25-26,28,30,32H,3-5,7,9-11,13,15-22,24H2,(H,33,34)/b8-6-,25-23+,28-26+/t30? SMILES (mnx) [CH:1]#[C:2][CH:30](/[CH:28]=[CH:26]/[CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][C:14]#[C:12][CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21]/[CH:23]=[CH:25]/[C:27]#[C:29][C:31](=[O:33])[OH:34])[OH:32]

Parent-child relations graph

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