input word = C00013896

Metabolite InformationStructural formula
Name Quercetin 3-sulfate-7-alpha-arabinopyranoside
3-(Hydrogen sulfate)-7-(alpha-L-arabinopyranosyloxy)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one
Formula C20H18O14S
Mw 514.04172602
CAS RN 396707-57-6
C_ID C00013896 ,
InChIKey XPYREWKWNDJMCU-HQBPWGCCNA-N
InChICode InChI=1S/C20H18O14S/c21-9-2-1-7(3-10(9)22)18-19(34-35(28,29)30)16(26)14-11(23)4-8(5-13(14)33-18)32-20-17(27)15(25)12(24)6-31-20/h1-5,12,15,17,20-25,27H,6H2,(H,28,29,30)/t12-,15+,17+,20+/m1/s1
SMILES O=c1c(OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3OCC(O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeAtriplex hortensis Ref.
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