input word = C00016991

Metabolite InformationStructural formula
Name Alloeremophilone
3-Desoxyneopetasol
Eremophila-9,11-dien-8-one
Neopetasan
Formula C15H22O
Mw 218.16706532
CAS RN 13902-42-6
C_ID C00016991 ,
InChIKey DIZRSLUNVNGBPA-XKBCNMOMNA-N
InChICode InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11,13H,1,5-7,9H2,2-4H3/t11-,13+,15+/m0/s1
SMILES C1CCC2=CC(=O)[C@H](C[C@@]2([C@H]1C)C)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites hybridus Ref.
PlantaeMyoporaceaeEremophila mitchelli Ref.
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