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 c1(cc(c2c(c1)O[C@@H]([C@H](C2)O)c1cc(c(cc1)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum sp. Ref.
PlantaePolygonaceaeRheum spp. Ref.
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OrganismRheum spp.
ReferenceAldrich Library of FT-IR Spectra,1st edn.,1,(1985),1120D