input word = C00004958

Metabolite InformationStructural formula
Name Quercetin 3'-O-sulfate
Formula C15H10O10S
Mw 381.99946727
CAS RN 62369-28-2
C_ID C00004958 ,
InChIKey OSCLBBUATYLBQA-UHFFFAOYSA-N
InChICode InChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)
SMILES c1(cc(c2c(c1)oc(c(c2=O)O)c1cc(c(cc1)O)OS(=O)(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum elodes Ref.
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