input word = C00008859

Metabolite InformationStructural formula
Name Catechin 7,3'-di-O-beta-D-glucopyranoside
Formula C27H34O16
Mw 614.18468504
CAS RN 105330-53-8
C_ID C00008859 ,
InChIKey QTRNMQGMJVCPJM-FUSIWKKHNA-N
InChICode InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-14(32)25(40-15(11)5-10)9-1-2-12(30)16(3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,14,17-38H,6-8H2/t14-,17+,18+,19+,20+,21-,22-,23+,24-,25+,26+,27+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@H](C2)O)c1ccc(c(c1)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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