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 O=c1c(OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
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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