16-sinapoyloxypalmitic acid

Properties Image MNX_ID MNXM114582 reference chebi:145764 formula C27H42O7 global charge 0 mol weight 478.626 InChIKey BTZKCJJXILZIFU-ISLYRVAYSA-N InChI InChI=1S/C27H42O7/c1-32-23-20-22(21-24(33-2)27(23)31)17-18-26(30)34-19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-25(28)29/h17-18,20-21,31H,3-16,19H2,1-2H3,(H,28,29)/b18-17+ SMILES COC1=CC(/C=C/C(=O)OCCCCCCCCCCCCCCCC(=O)O)=CC(OC)=C1O MNX internals InChI (mnx) InChI=1/C27H42O7/c1-32-23-20-22(21-24(33-2)27(23)31)17-18-26(30)34-19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-25(28)29/h17-18,20-21,31H,3-16,19H2,1-2H3,(H,28,29)/b18-17+ SMILES (mnx) [CH3:1][O:32][C:23]1=[C:27]([OH:31])[C:24]([O:33][CH3:2])=[CH:21][C:22](/[CH:17]=[CH:18]/[C:26](=[O:30])[O:34][CH2:19][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:3][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][C:25](=[O:28])[OH:29])=[CH:20]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0