input word = C00013861

Metabolite InformationStructural formula
Name Quercetin 7-[xylosyl-(1->2)-rhamnosyl-(1->2)-rhamnosyl]-(1->6)-glucoside
Formula C38H48O24
Mw 888.25355247
CAS RN
C_ID C00013861 ,
InChIKey MIKYFYAEEWGVMU-LHZDNOLNNA-N
InChICode InChI=1S/C38H48O24/c1-10-21(43)27(49)33(62-38-34(28(50)22(44)11(2)57-38)61-35-30(52)23(45)17(42)8-54-35)37(56-10)55-9-19-24(46)26(48)31(53)36(60-19)58-13-6-16(41)20-18(7-13)59-32(29(51)25(20)47)12-3-4-14(39)15(40)5-12/h3-7,10-11,17,19,21-24,26-28,30-31,33-46,48-53H,8-9H2,1-2H3/t10-,11-,17+,19+,21-,22-,23+,24+,26-,27+,28-,30+,31+,33-,34-,35+,36+,37+,38-/m0/s1
SMILES CC1O[C@@H](O[C@H]2C(O)[C@@H](O)C(C)O[C@H]2OCC2O[C@@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c3)C(O)[C@@H](O)[C@@H]2O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)C2O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens andicola Ref.
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OrganismBidens andicola
ReferenceTommasi,J.Nat.Prod.,61,(1998),973