input word = C00013938

Metabolite InformationStructural formula
Name Quercetin 7,3',4'-trimethyl ether 3-sulfate
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-3-(sulfooxy)-4H-1-Benzopyran-4-one
Formula C18H16O10S
Mw 424.04641746
CAS RN 221662-11-9
C_ID C00013938 ,
InChIKey RRGDPLTYDHRBNH-UHFFFAOYSA-N
InChICode InChI=1S/C18H16O10S/c1-24-10-7-11(19)15-14(8-10)27-17(18(16(15)20)28-29(21,22)23)9-4-5-12(25-2)13(6-9)26-3/h4-8,19H,1-3H3,(H,21,22,23)
SMILES c1c(cc(c(c1)OC)OC)c1oc2c(c(=O)c1OS(=O)(=O)O)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea regnellii Ref.
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