input word = C00054200

Metabolite InformationStructural formula
Name 1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne.
Formula C16H16O2
Mw 240.11502975
CAS RN 6581-87-9
C_ID C00054200
InChIKey CWMYRIMGSBQMJG-HULFFUFUSA-N
InChICode InChI=1S/C16H16O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h9-12H,13-15H2,1-2H3/b10-9+,12-11+
SMILES CC(OCCC/C=C/C=C/C#CC#CC#CC)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTanacetum vulgare Ref.
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OrganismTanacetum vulgare
ReferenceBohlmann, F. et al., Chem. Ber., 1960, 93, 1937

1962, 95, 1733

1964, 97, 1179

1965, 98, 1411

1966, 99, 1830

2096 (isol, uv, pmr, struct)