E,E-9-HpODE

Properties Image MNX_ID MNXM114506 reference chebi:165782 formula C18H32O4 global charge 0 mol weight 312.45 InChIKey JGUNZIWGNMQSBM-SIGMCMEVSA-N InChI InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6+,14-11+ SMILES CCCCC/C=C/C=C/C(CCCCCCCC(=O)O)OO MNX internals InChI (mnx) InChI=1/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6+,14-11+/t17? SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:8]/[CH:11]=[CH:14]/[CH:17]([CH2:15][CH2:12][CH2:9][CH2:7][CH2:10][CH2:13][CH2:16][C:18](=[O:19])[OH:20])[O:22][OH:21]

Parent-child relations graph

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