input word = C00050236

Metabolite InformationStructural formula
Name S-Petasitin
Formula C19H26O4S
Mw 350.15518005
CAS RN 211691-00-8
C_ID C00050236 ,
InChIKey SMMJMIYMTKDUOP-PNLPYVFKNA-N
InChICode InChI=1S/C19H26O4S/c1-12-16(23-17(21)8-9-24-5)7-6-13-10-15(20)14(18(2,3)22)11-19(12,13)4/h8-12,16,22H,6-7H2,1-5H3/b9-8-/t12-,16+,19+/m0/s1
SMILES C(=C\C(=O)O[C@@H]1CCC2=CC(=O)C(=C[C@@]2([C@H]1C)C)C(C)(O)C)\SC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites formosanus Ref.
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