input word = C00008857

Metabolite InformationStructural formula
Name Catechin 5,3'-di-O-beta-D-glucopyranoside
Formula C27H34O16
Mw 614.18468504
CAS RN 105330-54-9
C_ID C00008857 ,
InChIKey LCSWUKTXJWVVJX-PRPIIQLBNA-N
InChICode InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-13(32)25(39-14)9-1-2-12(31)16(3-9)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 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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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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