input word = C00017010

Metabolite InformationStructural formula
Name Petasol ester B
S-Petasin
Petasyl (Z)-3-(methylthio)acrylate
Formula C19H26O3S
Mw 334.16026543
CAS RN 70238-51-6
C_ID C00017010 ,
InChIKey OHANKWLYFDFHOJ-RYEZSHARNA-N
InChICode InChI=1S/C19H26O3S/c1-12(2)15-11-19(4)13(3)17(22-18(21)8-9-23-5)7-6-14(19)10-16(15)20/h8-10,13,15,17H,1,6-7,11H2,2-5H3/b9-8-/t13-,15-,17+,19+/m0/s1
SMILES C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C=CSC)[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites fragrans Ref.
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