input word = C00004978

Metabolite InformationStructural formula
Name Patuletin 3-O-sulfate
Formula C16H12O11S
Mw 412.01003196
CAS RN 74545-44-1
C_ID C00004978 ,
InChIKey ORORUIBIFGBBGD-UHFFFAOYSA-N
InChICode InChI=1S/C16H12O11S/c1-25-15-9(19)5-10-11(12(15)20)13(21)16(27-28(22,23)24)14(26-10)6-2-3-7(17)8(18)4-6/h2-5,17-20H,1H3,(H,22,23,24)
SMILES COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OS(=O)(=O)O)c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrickellia californica Ref.
PlantaeAsteraceaeFlaveria chloraefolia Ref.
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