13S-HpOTrE(gamma)

Properties Image MNX_ID MNXM101413 reference chebi:165788 formula C18H30O4 global charge 0 mol weight 310.434 InChIKey LYFGXCQTRBQQMX-YSHIPJNPSA-N InChI InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h4,6-7,9,12,15,17,21H,2-3,5,8,10-11,13-14,16H2,1H3,(H,19,20)/b6-4-,9-7-,15-12+ SMILES CCCCCC(/C=C/C=C\C/C=C\CCCCC(=O)O)OO MNX internals InChI (mnx) InChI=1/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h4,6-7,9,12,15,17,21H,2-3,5,8,10-11,13-14,16H2,1H3,(H,19,20)/b6-4-,9-7-,15-12+/t17? SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:11][CH2:14][CH:17](/[CH:15]=[CH:12]/[CH:9]=[CH:7]\[CH2:5]/[CH:4]=[CH:6]\[CH2:8][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