16-feruloyloxyhexadecanoate

Properties Image MNX_ID MNXM4951 reference chebi:55331 formula C26H39O6 global charge -1 mol weight 447.592 InChIKey DCZDUZNVOVFUCD-HTXNQAPBSA-M InChI InChI=1S/C26H40O6/c1-31-24-21-22(16-18-23(24)27)17-19-26(30)32-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-25(28)29/h16-19,21,27H,2-15,20H2,1H3,(H,28,29)/p-1/b19-17+ SMILES COC1=CC(/C=C/C(=O)OCCCCCCCCCCCCCCCC(=O)[O-])=CC=C1O MNX internals InChI (mnx) InChI=1/C26H40O6/c1-31-24-21-22(16-18-23(24)27)17-19-26(30)32-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-25(28)29/h16-19,21,27H,2-15,20H2,1H3,(H,28,29)/b19-17+ SMILES (mnx) [CH3:1][O:31][C:24]1=[C:23]([OH:27])[CH:18]=[CH:16][C:22](/[CH:17]=[CH:19]/[C:26](=[O:30])[O:32][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][C:25](=[O:28])[OH:29])=[CH:21]1

Parent-child relations graph

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