Glycerol trisinapate

Properties Image MNX_ID MNXM126219 reference chebi:168662 formula C36H38O15 global charge 0 mol weight 710.685 InChIKey FEUWBELGELLWPV-SRDSWEMOSA-N InChI InChI=1S/C36H38O15/c1-43-25-13-21(14-26(44-2)34(25)40)7-10-31(37)49-19-24(51-33(39)12-9-23-17-29(47-5)36(42)30(18-23)48-6)20-50-32(38)11-8-22-15-27(45-3)35(41)28(16-22)46-4/h7-18,24,40-42H,19-20H2,1-6H3/b10-7+,11-8+,12-9+ SMILES COC1=CC(/C=C/C(=O)OCC(COC(=O)/C=C/C2=CC(OC)=C(O)C(OC)=C2)OC(=O)/C=C/C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O MNX internals InChI (mnx) InChI=1/C36H38O15/c1-43-25-13-21(14-26(44-2)34(25)40)7-10-31(37)49-19-24(51-33(39)12-9-23-17-29(47-5)36(42)30(18-23)48-6)20-50-32(38)11-8-22-15-27(45-3)35(41)28(16-22)46-4/h7-18,24,40-42H,19-20H2,1-6H3/b10-7+,11-8+,12-9+ SMILES (mnx) [CH3:1][O:43][C:25]1=[C:34]([OH:40])[C:26]([O:44][CH3:2])=[CH:14][C:21](/[CH:7]=[CH:10]/[C:31](=[O:37])[O:49][CH2:19][CH:24]([CH2:20][O:50][C:32](/[CH:11]=[CH:8]/[C:22]2=[CH:15][C:27]([O:45][CH3:3])=[C:35]([OH:41])[C:28]([O:46][CH3:4])=[CH:16]2)=[O:38])[O:51][C:33](/[CH:12]=[CH:9]/[C:23]2=[CH:17][C:29]([O:47][CH3:5])=[C:36]([OH:42])[C:30]([O:48][CH3:6])=[CH:18]2)=[O:39])=[CH:13]1

Parent-child relations graph

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