trans-Methylbixin

Properties Image MNX_ID MNXM16371 reference chebi:176013 formula C26H32O4 global charge 0 mol weight 408.538 InChIKey UNTSJRBZLAUZBX-VBBCTIIMSA-N InChI InChI=1S/C26H32O4/c1-21(13-9-15-23(3)17-19-25(27)29-5)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)30-6/h7-20H,1-6H3/b8-7+,13-9+,14-10+,19-17+,20-18+,21-11+,22-12+,23-15+,24-16+ SMILES COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)OC MNX internals InChI (mnx) InChI=1/C26H32O4/c1-21(13-9-15-23(3)17-19-25(27)29-5)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)30-6/h7-20H,1-6H3/b8-7+,13-9+,14-10+,19-17+,20-18+,21-11+,22-12+,23-15+,24-16+ SMILES (mnx) [CH3:1][C:21](=[CH:11]\[CH:7]=[CH:8]\[CH:12]=[C:22]([CH3:2])\[CH:14]=[CH:10]\[CH:16]=[C:24]([CH3:4])\[CH:18]=[CH:20]\[C:26](=[O:28])[O:30][CH3:6])/[CH:13]=[CH:9]/[CH:15]=[C:23]([CH3:3])/[CH:17]=[CH:19]/[C:25](=[O:27])[O:29][CH3:5]

Parent-child relations graph

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