input word = C00004956

Metabolite InformationStructural formula
Name Quercetin 3-O-sulfate
Formula C15H10O10S
Mw 381.99946727
CAS RN 60889-05-6
C_ID C00004956 ,
InChIKey DNAYVNOVGHZZLH-UHFFFAOYSA-N
InChICode InChI=1S/C15H10O10S/c16-7-4-10(19)12-11(5-7)24-14(6-1-2-8(17)9(18)3-6)15(13(12)20)25-26(21,22)23/h1-5,16-19H,(H,21,22,23)
SMILES c1(cc(c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAmmi visnaga Ref.
PlantaeApiaceaeOenanthe crocata Ref.
PlantaeAsteraceaeFlaveria bidentis Ref.
PlantaeAsteraceaeFlaveria chloraefolia Ref.
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