input word = C00013882

Metabolite InformationStructural formula
Name Quercetin 3-(3'',4''-diacetylrhamnosyl)-(1->6)-glucoside
Formula C31H34O18
Mw 694.17451429
CAS RN
C_ID C00013882 ,
InChIKey OILJXSBGQQNYAQ-AAHLKCTQNA-N
InChICode InChI=1S/C31H34O18/c1-10-26(45-11(2)32)29(46-12(3)33)25(42)30(44-10)43-9-19-21(38)23(40)24(41)31(48-19)49-28-22(39)20-17(37)7-14(34)8-18(20)47-27(28)13-4-5-15(35)16(36)6-13/h4-8,10,19,21,23-26,29-31,34-38,40-42H,9H2,1-3H3/t10-,19+,21+,23-,24+,25-,26-,29+,30+,31-/m0/s1
SMILES CC(=O)OC1[C@@H](OC(C)=O)C(C)O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)[C@@H](O)[C@@H]2O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeTordylium apulum Ref.
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