CDK     1030232201

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.2302    1.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0876    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3072    0.2775    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0014    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7551   -0.3355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0608   -0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1676   -1.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9746   -0.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 O   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
    2.1435    0.0000    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
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    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 
  4  6  1  6  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
  5  6  1  0  0  0  0 
  9 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:210488

> <NAME>
Pyrrolizixenamide D

> <STAR>
2

> <IUPAC_NAME>
5-methyl-N-(1-oxo-5,6,7,8-tetrahydropyrrolizin-3-yl)hexanamide

> <FORMULA>
C14H22N2O2

> <MASS>
250.342

> <MONOISOTOPIC_MASS>
250.16813

> <CHARGE>
0

> <SMILES>
O=C1C=C(NC(=O)CCCC(C)C)N2[C@H]1CCC2

> <INCHI>
InChI=1S/C14H22N2O2/c1-10(2)5-3-7-14(18)15-13-9-12(17)11-6-4-8-16(11)13/h9-11H,3-8H2,1-2H3,(H,15,18)/t11-/m0/s1

> <INCHIKEY>
FVSNLPIDBSKTGH-NSHDSACASA-N

$$$$