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

Properties Image MNX_ID MNXM1364792 reference seedM:cpd32383 formula C21H21O12 global charge -1 mol weight 465.387 InChIKey WAFSXWYBNFSXTN-VJXVFPJBSA-M InChI InChI=1S/C21H22O12/c22-6-14-17(29)19(31)20(32)21(33-14)16-13(28)5-12(27)15(18(16)30)11(26)4-9(24)7-1-2-8(23)10(25)3-7/h1-5,14,17,19-25,27-32H,6H2/p-1/t14-,17-,19+,20-,21+/m1/s1 SMILES O=C(C=C([O-])C1=CC=C(O)C(O)=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/C21H22O12/c22-6-14-17(29)19(31)20(32)21(33-14)16-13(28)5-12(27)15(18(16)30)11(26)4-9(24)7-1-2-8(23)10(25)3-7/h1-5,14,17,19-25,27-32H,6H2/b9-4?/t14-,17-,19+,20-,21+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:8]([OH:23])=[C:10]([OH:25])[CH:3]=[C:7]1[C:9](=[CH:4][C:11]([C:15]1=[C:18]([OH:30])[C:16]([C@H:21]2[C@H:20]([OH:32])[C@@H:19]([OH:31])[C@H:17]([OH:29])[C@@H:14]([CH2:6][OH:22])[O:33]2)=[C:13]([OH:28])[CH:5]=[C:12]1[OH:27])=[O:26])[OH:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0