input word = C00050186

Metabolite InformationStructural formula
Name Petasone A
(+)-Petasone A
Formula C19H26O4S
Mw 350.15518005
CAS RN 211690-98-1
C_ID C00050186 ,
InChIKey GJJOCUQOAXECJY-KZMNXVFANA-N
InChICode InChI=1S/C19H26O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,17H,6-7,11H2,1-5H3/b9-8-/t13-,17+,19+,24+/m0/s1
SMILES CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C=CS(C)=O)[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites formosanus Ref.
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OrganismPetasites formosanus
ReferenceLin,J.Nat.Prod.,61,(1998),887