input word = C00004985

Metabolite InformationStructural formula
Name Eupatin 3-O-sulfate
Formula C18H16O11S
Mw 440.04133209
CAS RN 74545-34-9
C_ID C00004985 ,
InChIKey NSLLNIWBDJKTNH-UHFFFAOYSA-N
InChICode InChI=1S/C18H16O11S/c1-25-10-5-4-8(6-9(10)19)16-18(29-30(22,23)24)15(21)13-11(28-16)7-12(26-2)17(27-3)14(13)20/h4-7,19-20H,1-3H3,(H,22,23,24)
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(c(c1)O)OC)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrickellia californica Ref.
PlantaeAsteraceaeFlaveria chloraefolia Ref.
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