input word = C00004979

Metabolite InformationStructural formula
Name Patuletin 7-O-sulfate
Formula C16H12O11S
Mw 412.01003196
CAS RN 33429-81-1
C_ID C00004979 ,
InChIKey ZZGGTOGGQXZBDV-UHFFFAOYSA-N
InChICode InChI=1S/C16H12O11S/c1-25-16-10(27-28(22,23)24)5-9-11(13(16)20)12(19)14(21)15(26-9)6-2-3-7(17)8(18)4-6/h2-5,17-18,20-21H,1H3,(H,22,23,24)
SMILES COc1c(OS(=O)(=O)O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLasthenia conjugens Ref.
PlantaeAsteraceaeLasthenia fremontii Ref.
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