input word = C00004975

Metabolite InformationStructural formula
Name Ombuin 3-O-sulfate
Formula C17H14O10S
Mw 410.0307674
CAS RN 112106-74-8
C_ID C00004975 ,
InChIKey WNYUBBUFEAFFSA-UHFFFAOYSA-N
InChICode InChI=1S/C17H14O10S/c1-24-9-6-11(19)14-13(7-9)26-16(17(15(14)20)27-28(21,22)23)8-3-4-12(25-2)10(18)5-8/h3-7,18-19H,1-2H3,(H,21,22,23)
SMILES COc1cc(O)c2c(=O)c(OS(=O)(=O)O)c(-c3ccc(OC)c(O)c3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeFlaveria chloraefolia Ref.
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