tianshic acid

Properties Image MNX_ID MNXM113551 reference chebi:66230 formula C18H34O5 global charge 0 mol weight 330.465 InChIKey YFCZLXRIKFCQFU-BUHFOSPRSA-N InChI InChI=1S/C18H34O5/c1-2-3-4-8-11-16(20)17(21)14-13-15(19)10-7-5-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+ SMILES CCCCCCC(O)C(O)/C=C/C(O)CCCCCCC(=O)O MNX internals InChI (mnx) InChI=1/C18H34O5/c1-2-3-4-8-11-16(20)17(21)14-13-15(19)10-7-5-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15?,16?,17? SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:8][CH2:11][CH:16]([CH:17](/[CH:14]=[CH:13]/[CH:15]([CH2:10][CH2:7][CH2:5][CH2:6][CH2:9][CH2:12][C:18](=[O:22])[OH:23])[OH:19])[OH:21])[OH:20]

Parent-child relations graph

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