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 c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O)c(cc(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens andicola Ref.
zoom in