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 OCC1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c2)[C@@H](O)C3)C(O)[C@@H](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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