input word = C00004947

Metabolite InformationStructural formula
Name Kaempferol 3,7-di-O-sulfate
Formula C15H10O12S2
Mw 445.96136725
CAS RN 64291-85-6
C_ID C00004947 ,
InChIKey CBWPMMFEOJLIPC-UHFFFAOYSA-N
InChICode InChI=1S/C15H10O12S2/c16-8-3-1-7(2-4-8)14-15(27-29(22,23)24)13(18)12-10(17)5-9(6-11(12)25-14)26-28(19,20)21/h1-6,16-17H,(H,19,20,21)(H,22,23,24)
SMILES c1(cc(c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(cc1)O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePluchea dioscorides Ref.
PlantaeDilleniaceaeDillenia bracteata Ref.
PlantaeDilleniaceaeSchumacheria castaneifolia Ref.
PlantaeTamaricaceaeReaumuria mucronata Ref.
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