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 c12c(c(c(cc1O)O)[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)O[C@@H]([C@@H](C2)O)c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeTheobroma cacao Ref.
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