tianshic acid methyl ester

Properties Image MNX_ID MNXM113552 reference chebi:66231 formula C19H36O5 global charge 0 mol weight 344.492 InChIKey VAGGDCACZPJMFS-CCEZHUSRSA-N InChI InChI=1S/C19H36O5/c1-3-4-5-9-12-17(21)18(22)15-14-16(20)11-8-6-7-10-13-19(23)24-2/h14-18,20-22H,3-13H2,1-2H3/b15-14+ SMILES CCCCCCC(O)C(O)/C=C/C(O)CCCCCCC(=O)OC MNX internals InChI (mnx) InChI=1/C19H36O5/c1-3-4-5-9-12-17(21)18(22)15-14-16(20)11-8-6-7-10-13-19(23)24-2/h14-18,20-22H,3-13H2,1-2H3/b15-14+/t16?,17?,18? SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:9][CH2:12][CH:17]([CH:18](/[CH:15]=[CH:14]/[CH:16]([CH2:11][CH2:8][CH2:6][CH2:7][CH2:10][CH2:13][C:19](=[O:23])[O:24][CH3:2])[OH:20])[OH:22])[OH:21]

Parent-child relations graph

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