input word = C00013929

Metabolite InformationStructural formula
Name Quercetin 3,7-dimethyl ether 4'-sulfate
5-Hydroxy-2-[3-hydroxy-4-(sulfooxy)phenyl]-3,7-dimethoxy-4H-1-benzopyran-4-one
Formula C17H14O10S
Mw 410.0307674
CAS RN 221662-09-5
C_ID C00013929 ,
InChIKey OEKCUNHKAUIGEO-UHFFFAOYSA-N
InChICode InChI=1S/C17H14O10S/c1-24-9-6-11(19)14-13(7-9)26-16(17(25-2)15(14)20)8-3-4-12(10(18)5-8)27-28(21,22)23/h3-7,18-19H,1-2H3,(H,21,22,23)
SMILES c1c(cc(c(c1)OS(=O)(=O)O)O)c1oc2c(c(=O)c1OC)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea regnellii Ref.
zoom in