input word = C00008855

Metabolite InformationStructural formula
Name Catechin 3'-O-beta-D-glucopyranoside
Formula C21H24O11
Mw 452.13186161
CAS RN 105330-51-6
C_ID C00008855 ,
InChIKey ZZTOVZGFHZQEAT-JLIAOEEBNA-N
InChICode InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16+,17+,18+,19+,20+,21+/m0/s1
SMILES OCC1O[C@@H](Oc2cc([C@H]3Oc4cc(O)cc(O)c4C[C@@H]3O)ccc2O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum sp. Ref.
PlantaePolygonaceaeRheum spp. Ref.
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OrganismRheum sp.
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Kashiwada,Chem.Pharm.Bull.,34,(1986),3208