input word = C00004981

Metabolite InformationStructural formula
Name Eupatolitin 3-O-sulfate
Formula C17H14O11S
Mw 426.02568202
CAS RN 74552-02-6
C_ID C00004981 ,
InChIKey QQCSAEOGQYIIMB-UHFFFAOYSA-N
InChICode InChI=1S/C17H14O11S/c1-25-11-6-10-12(13(20)16(11)26-2)14(21)17(28-29(22,23)24)15(27-10)7-3-4-8(18)9(19)5-7/h3-6,18-20H,1-2H3,(H,22,23,24)
SMILES COc1cc2oc(-c3ccc(O)c(O)c3)c(OS(=O)(=O)O)c(=O)c2c(O)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrickellia veronicifolia Ref.
PlantaeAsteraceaeFlaveria chloraefolia Ref.
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