(9Z)-12,13,17-trihydroxyoctadeca-9-enoate

Properties Image MNX_ID MNXM13982 reference metacycM:CPD-13087 formula C18H33O5 global charge -1 mol weight 329.457 InChIKey IYIVYYHFHGVWRB-VURMDHGXSA-M InChI InChI=1S/C18H34O5/c1-15(19)11-10-13-17(21)16(20)12-8-6-4-2-3-5-7-9-14-18(22)23/h6,8,15-17,19-21H,2-5,7,9-14H2,1H3,(H,22,23)/p-1/b8-6- SMILES CC(O)CCCC(O)C(O)C/C=C\CCCCCCCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C18H34O5/c1-15(19)11-10-13-17(21)16(20)12-8-6-4-2-3-5-7-9-14-18(22)23/h6,8,15-17,19-21H,2-5,7,9-14H2,1H3,(H,22,23)/b8-6-/t15?,16?,17? SMILES (mnx) [CH3:1][CH:15]([CH2:11][CH2:10][CH2:13][CH:17]([CH:16]([CH2:12]/[CH:8]=[CH:6]\[CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH2:9][CH2:14][C:18](=[O:22])[OH:23])[OH:20])[OH:21])[OH:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0