1-phenyl-3-(3-C-glucosyl-2,4,6-trihydroxyphenyl)propane-1,3-dione

Properties Image MNX_ID MNXM1364790 reference seedM:cpd32097 formula C21H21O10 global charge -1 mol weight 433.389 InChIKey RRSOMPXSZQJJDT-VJXVFPJBSA-M InChI InChI=1S/C21H22O10/c22-8-14-17(27)19(29)20(30)21(31-14)16-13(26)7-12(25)15(18(16)28)11(24)6-10(23)9-4-2-1-3-5-9/h1-7,14,17,19-23,25-30H,8H2/p-1/t14-,17-,19+,20-,21+/m1/s1 SMILES O=C(C=C([O-])C1=CC=CC=C1)C1=C(O)C=C(O)C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1O MNX internals InChI (mnx) InChI=1/C21H22O10/c22-8-14-17(27)19(29)20(30)21(31-14)16-13(26)7-12(25)15(18(16)28)11(24)6-10(23)9-4-2-1-3-5-9/h1-7,14,17,19-23,25-30H,8H2/b10-6?/t14-,17-,19+,20-,21+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:9]([C:10](=[CH:6][C:11]([C:15]2=[C:18]([OH:28])[C:16]([C@H:21]3[C@H:20]([OH:30])[C@@H:19]([OH:29])[C@H:17]([OH:27])[C@@H:14]([CH2:8][OH:22])[O:31]3)=[C:13]([OH:26])[CH:7]=[C:12]2[OH:25])=[O:24])[OH:23])[CH:5]=[CH:3]1

Parent-child relations graph

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