input word = C00016967

Metabolite InformationStructural formula
Name Petasitin
Formula C20H28O4
Mw 332.19875938
CAS RN 19887-90-2
C_ID C00016967 ,
InChIKey ITHGBLBTVGSKLJ-SISGLTANNA-N
InChICode InChI=1S/C20H28O4/c1-7-12(2)18(22)24-17-9-8-14-10-16(21)15(19(4,5)23)11-20(14,6)13(17)3/h7,10-11,13,17,23H,8-9H2,1-6H3/b12-7-/t13-,17+,20+/m0/s1
SMILES [C@H]1(CCC2=CC(=O)C(=C[C@@]2([C@H]1C)C)C(C)(O)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites japonica Ref.
PlantaeAsteraceaePetasites japonicus Ref.
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