input word = C00005447

Metabolite InformationStructural formula
Name Quercetin 3-(2R-apiosylrutinoside)
Quercetin 3-apiosyl-(1->2)-rhamnosyl-(1->6)-glucoside
3-[(O-D-Apio-beta-D-furanosyl-(1->2)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C32H38O20
Mw 742.19564366
CAS RN 151261-96-0
C_ID C00005447 ,
InChIKey KZJQLAODESHSCC-FRSGXDAJNA-N
InChICode InChI=1S/C32H38O20/c1-10-19(38)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(48-10)46-7-17-20(39)22(41)24(43)29(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3/t10-,17-,19-,20-,22+,23-,24-,27-,28-,29-,30+,31-,32-/m0/s1
SMILES CC1O[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(O[C@@H]2OC[C@@](O)(CO)C2O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis thesioides Ref.
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OrganismBaccharis thesioides
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Liu,Phytochem.,33,(1993),1549