input word = C00013256

Metabolite InformationStructural formula
Name Epicatechin 8-C-beta-D-galactoside
Formula C21H24O11
Mw 452.13186161
CAS RN
C_ID C00013256 ,
InChIKey XWDHVYPMZCGHNM-BBGJUGJBNA-N
InChICode InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14+,16+,17-,18+,19-,21+/m1/s1
SMILES OCC1O[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeTheobroma cacao Ref.
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