input word = C00005975

Metabolite InformationStructural formula
Name Quercetin 3-(2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl)(1->6)-glucoside
Formula C32H34O19
Mw 722.16942891
CAS RN
C_ID C00005975 ,
InChIKey SPRJCDJDRBHCDG-UAJUOEIRNA-N
InChICode InChI=1S/C32H34O19/c1-11(33)44-10-21-28(46-12(2)34)30(47-13(3)35)32(50-21)45-9-20-23(40)25(42)26(43)31(49-20)51-29-24(41)22-18(39)7-15(36)8-19(22)48-27(29)14-4-5-16(37)17(38)6-14/h4-8,20-21,23,25-26,28,30-32,36-40,42-43H,9-10H2,1-3H3/t20-,21-,23-,25+,26-,28-,30+,31+,32+/m1/s1
SMILES CC(=O)OC[C@@H]1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)[C@@H]2O)C(OC(C)=O)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeCalluna vulgaris Ref.
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OrganismCalluna vulgaris
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Simon,Phytochem.,33,(1993),1237