input word = C00004952

Metabolite InformationStructural formula
Name 6-Hydroxykaempferol 3-methyl ether 7-O-sulfate
Formula C16H12O10S
Mw 396.01511734
CAS RN 78876-28-5
C_ID C00004952 ,
InChIKey KDVOBVBPKCRDQE-UHFFFAOYSA-N
InChICode InChI=1S/C16H12O10S/c1-24-16-14(20)11-9(25-15(16)7-2-4-8(17)5-3-7)6-10(12(18)13(11)19)26-27(21,22)23/h2-6,17-19H,1H3,(H,21,22,23)
SMILES COc1c(-c2ccc(O)cc2)oc2cc(OS(=O)(=O)O)c(O)c(O)c2c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNeurolaena lobata Ref.
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