CDK     1030232203

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.7831    0.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6116   -0.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1636   -0.6900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9442   -1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9173   -1.0256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7511   -1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8311   -0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -1.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0867   -2.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  4  2  1  0  0  0  0 
  3  5  2  0  0  0  0 
  3  6  1  0  0  0  0 
  4  7  1  1  0  0  0 
  4  8  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  8 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
  5  8  1  0  0  0  0 
M  END
> <ID>
CHEBI:226659

> <NAME>
Asenjonamide C

> <STAR>
2

> <IUPAC_NAME>
2-amino-4-butyl-2,5-dimethylcyclopent-4-ene-1,3-dione

> <FORMULA>
C11H17NO2

> <MASS>
195.262

> <MONOISOTOPIC_MASS>
195.12593

> <CHARGE>
0

> <SMILES>
O=C1C(=C(C)C([C@@]1(N)C)=O)CCCC

> <INCHI>
InChI=1S/C11H17NO2/c1-4-5-6-8-7(2)9(13)11(3,12)10(8)14/h4-6,12H2,1-3H3/t11-/m0/s1

> <INCHIKEY>
UQRSYVCLSGPJKJ-NSHDSACASA-N

$$$$