CDK     1018121544

 14 13  0  0  0  0  0  0  0  0999 V2000
   -3.5958  -13.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8814  -13.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1669  -13.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4524  -13.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379  -13.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0235  -13.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910  -13.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4055  -13.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1199  -13.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344  -13.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3103  -13.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958  -14.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5489  -13.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2633  -13.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  4  5  2  0  0  0  0 
  9 10  1  0  0  0  0 
  2  3  2  0  0  0  0 
  1 11  1  0  0  0  0 
  5  6  1  0  0  0  0 
  1 12  2  0  0  0  0 
  1  2  1  0  0  0  0 
 10 13  1  0  0  0  0 
  6  7  1  0  0  0  0 
 13 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:69687

> <NAME>
2,4-Dodecadienamide

> <DEFINITION>
A natural product found in Piper sarmentosum. 

> <STAR>
2

> <FORMULA>
C12H21NO

> <MASS>
195.30120

> <MONOISOTOPIC_MASS>
195.16231

> <CHARGE>
0

> <SMILES>
CCCCCCC\C=C\C=C\C(N)=O

> <INCHI>
InChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H2,13,14)/b9-8+,11-10+

> <INCHIKEY>
ZJDVIVOFURPUPP-BNFZFUHLSA-N

> <PUBMED_CITATION>
21973101

$$$$