Docosyl trans-ferulate

Properties Image MNX_ID MNXM104668 reference chebi:68000 formula C32H54O4 global charge 0 mol weight 502.78 InChIKey USNYNNITUQSEEV-SHHOIMCASA-N InChI InChI=1S/C32H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-32(34)26-24-29-23-25-30(33)31(28-29)35-2/h23-26,28,33H,3-22,27H2,1-2H3/b26-24+ SMILES CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC=C(O)C(OC)=C1 MNX internals InChI (mnx) InChI=1/C32H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-32(34)26-24-29-23-25-30(33)31(28-29)35-2/h23-26,28,33H,3-22,27H2,1-2H3/b26-24+ SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:27][O:36][C:32](/[CH:26]=[CH:24]/[C:29]1=[CH:28][C:31]([O:35][CH3:2])=[C:30]([OH:33])[CH:25]=[CH:23]1)=[O:34]

Parent-child relations graph

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