Curcumin monoglucoside

Properties Image MNX_ID MNXM5106 reference chebi:81314 formula C27H30O11 global charge 0 mol weight 530.526 InChIKey SHKKKJAZAXOQJJ-LVCGPBKYSA-N InChI InChI=1S/C27H30O11/c1-35-21-11-15(5-9-19(21)31)3-7-17(29)13-18(30)8-4-16-6-10-20(22(12-16)36-2)37-27-26(34)25(33)24(32)23(14-28)38-27/h3-13,23-29,31-34H,14H2,1-2H3/b7-3+,8-4+,17-13-/t23-,24-,25+,26-,27-/m1/s1 SMILES COC1=C(O)C=CC(/C=C/C(O)=C/C(=O)/C=C/C2=CC(OC)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)=C1 MNX internals InChI (mnx) InChI=1/C27H30O11/c1-35-21-11-15(5-9-19(21)31)3-7-17(29)13-18(30)8-4-16-6-10-20(22(12-16)36-2)37-27-26(34)25(33)24(32)23(14-28)38-27/h3-13,23-29,31-34H,14H2,1-2H3/b7-3+,8-4+,17-13-/t23-,24-,25+,26-,27-/m1/s1 SMILES (mnx) [CH3:1][O:35][C:21]1=[C:19]([OH:31])[CH:9]=[CH:5][C:15](/[CH:3]=[CH:7]/[C:17](=[CH:13]/[C:18](/[CH:8]=[CH:4]/[C:16]2=[CH:12][C:22]([O:36][CH3:2])=[C:20]([O:37][C@H:27]3[C@H:26]([OH:34])[C@@H:25]([OH:33])[C@H:24]([OH:32])[C@@H:23]([CH2:14][OH:28])[O:38]3)[CH:10]=[CH:6]2)=[O:30])[OH:29])=[CH:11]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0