input word = C00013955

Metabolite InformationStructural formula
Name Axillarin 7-sulfate
Quercetagetin 3,6-dimethyl ether 7-sulfate
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-7-(sulfooxy)-4H-1-benzopyran-4-one
Formula C17H14O11S
Mw 426.02568202
CAS RN 737749-32-5
C_ID C00013955 ,
InChIKey AYBWPCJLKMIOED-UHFFFAOYSA-N
InChICode InChI=1S/C17H14O11S/c1-25-16-11(28-29(22,23)24)6-10-12(13(16)20)14(21)17(26-2)15(27-10)7-3-4-8(18)9(19)5-7/h3-6,18-20H,1-2H3,(H,22,23,24)
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1OC)c(c(c(c2)OS(=O)(=O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea bracteata Ref.
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OrganismCentaurea bracteata
ReferenceFlamini,Phytochem.,58,(2001),1229