input word = C00013807

Metabolite InformationStructural formula
Name Kaempferol 3-sulfate-7-alpha-arabinopyranoside
7-(alpha-L-Arabinopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 3-(hydrogen sulfate)
Formula C20H18O13S
Mw 498.04681139
CAS RN 396707-55-4
C_ID C00013807 ,
InChIKey WQCLONBBNHKASY-HQBPWGCCNA-N
InChICode InChI=1S/C20H18O13S/c21-9-3-1-8(2-4-9)18-19(33-34(27,28)29)16(25)14-11(22)5-10(6-13(14)32-18)31-20-17(26)15(24)12(23)7-30-20/h1-6,12,15,17,20-24,26H,7H2,(H,27,28,29)/t12-,15-,17-,20-/m1/s1
SMILES O=c1c(OS(=O)(=O)O)c(-c2ccc(O)cc2)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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