input word = C00005486

Metabolite InformationStructural formula
Name Quercetin 3,7,4'-triglucoside
Formula C33H40O22
Mw 788.20112297
CAS RN 133563-23-2
C_ID C00005486 ,
InChIKey JWSWVKOHVSHWQA-WVCAOFAFNA-N
InChICode InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-10-4-12(38)18-14(5-10)50-29(30(22(18)42)55-33-28(48)25(45)21(41)17(8-36)54-33)9-1-2-13(11(37)3-9)51-32-27(47)24(44)20(40)16(7-35)53-32/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16+,17+,19+,20+,21+,23-,24+,25-,26+,27+,28+,31+,32+,33-/m0/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)c(-c2ccc(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)c(O)c2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)C(O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
PlantaeVitaceaeVitis sp. Ref.
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OrganismAllium cepa
ReferenceBriggs,L.H.et al.,JCS,(1949),2162-2164