input word = C00040131

Metabolite InformationStructural formula
Name Quercetin 3,4'-di-O-alpha-L-rhamnopyranoside
Formula C27H30O15
Mw 594.15847029
CAS RN 259728-31-9
C_ID C00040131 ,
InChIKey LSXRXFWRYBBFTA-DNHUCLHZNA-N
InChICode InChI=1S/C27H30O15/c1-8-17(31)20(34)22(36)26(38-8)41-14-4-3-10(5-12(14)29)24-25(42-27-23(37)21(35)18(32)9(2)39-27)19(33)16-13(30)6-11(28)7-15(16)40-24/h3-9,17-18,20-23,26-32,34-37H,1-2H3/t8-,9-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1
SMILES C[C@@H]1O[C@@H](Oc2ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeRhamnus disperma Ref.
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OrganismRhamnus disperma
ReferenceMarzouk,Phytochem.,52,(1999),943