input word = C00050187

Metabolite InformationStructural formula
Name Petasone B
(-)-Petasone B
Formula C19H26O4S
Mw 350.15518005
CAS RN 211690-99-2
C_ID C00050187 ,
InChIKey GJJOCUQOAXECJY-HXKJGFCWNA-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 C[S@](=O)/C=C/C(=O)O[C@@H]1CCC2=CC(=O)C(=C(C)C)C[C@@]2([C@H]1C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites formosanus Ref.
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