Corchorifatty acid D

Properties Image MNX_ID MNXM123939 reference chebi:168782 formula C18H28O4 global charge 0 mol weight 308.418 InChIKey KLFMLBSZQZVKDC-KDXRDGMUSA-N InChI InChI=1S/C18H28O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14,16,19H,2-5,9,11,13,15H2,1H3,(H,21,22)/b7-6+,12-8+,14-10+ SMILES CCC(O)/C=C/C=C/C=C/C(=O)CCCCCCCC(=O)O MNX internals InChI (mnx) InChI=1/C18H28O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14,16,19H,2-5,9,11,13,15H2,1H3,(H,21,22)/b7-6+,12-8+,14-10+/t16? SMILES (mnx) [CH3:1][CH2:2][CH:16](/[CH:12]=[CH:8]/[CH:6]=[CH:7]/[CH:10]=[CH:14]/[C:17]([CH2:13][CH2:9][CH2:4][CH2:3][CH2:5][CH2:11][CH2:15][C:18](=[O:21])[OH:22])=[O:20])[OH:19]

Parent-child relations graph

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