input word = C00005959

Metabolite InformationStructural formula
Name Quercetin 3-(2''-p-coumarylglucoside)
Formula C30H26O14
Mw 610.13225554
CAS RN 115909-21-2
C_ID C00005959 ,
InChIKey UVCBMXSJQAXKON-CSESMDIBNA-N
InChICode InChI=1S/C30H26O14/c31-12-21-24(38)26(40)29(43-22(37)8-3-13-1-5-15(32)6-2-13)30(42-21)44-28-25(39)23-19(36)10-16(33)11-20(23)41-27(28)14-4-7-17(34)18(35)9-14/h1-11,21,24,26,29-36,38,40H,12H2/b8-3+/t21-,24-,26+,29-,30+/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C(O)[C@H](O)C(CO)O[C@H]1Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeFagopyrum cymosum Ref.
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OrganismFagopyrum cymosum
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Saxena,Fitoterapia,58,(1987),421