input word = C00054202

Metabolite InformationStructural formula
Name 3-Acetoxy-9-heptadecene-4,6-diyn-8-ol.
Formula C19H28O3
Mw 304.20384476
CAS RN 1194042-04-0
C_ID C00054202
InChIKey DSDPTYMUNBKBOI-KAMYIIQDSA-N
InChICode InChI=1S/C19H28O3/c1-4-6-7-8-9-10-11-14-18(21)15-12-13-16-19(5-2)22-17(3)20/h11,14,18-19,21H,4-10H2,1-3H3/b14-11-
SMILES CCCCCCC/C=CC(O)C#CC#CC(CC)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeDaucus carota Ref.
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OrganismDaucus carota
ReferenceBohlmann, F. et al., Chem. Ber., 1961, 94, 958

3189

1967, 100, 3450

3454

1971, 104, 2033

1975, 108, 511 (isol, derivs)