input word = C00008858

Metabolite InformationStructural formula
Name Catechin 5,4'-di-O-beta-D-glucopyranoside
Formula C27H34O16
Mw 614.18468504
CAS RN 105330-56-1
C_ID C00008858 ,
InChIKey GYIXFTSTDSKAJK-REQUXDDXNA-N
InChICode InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(3-12(14)31)25-13(32)6-11-15(39-25)4-10(30)5-16(11)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,13,17-38H,6-8H2/t13-,17+,18-,19+,20+,21-,22-,23+,24-,25+,26+,27+/m0/s1
SMILES OCC1O[C@@H](Oc2ccc([C@H]3Oc4cc(O)cc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)c4C[C@@H]3O)cc2O)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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