CDK     1030232204

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8012    1.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4657    0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6587    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8782    0.2775    0.0000 C   0  0  2  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
    5.4302    0.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3261   -0.3355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6318   -0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7387   -1.0501    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5456   -0.8786    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
    4.4030   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.8250    0.0000 O   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 
  4  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
 10  7  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 13  1  6  0  0  0 
 12 14  2  0  0  0  0 
 12 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
  5  7  1  0  0  0  0 
 10 11  1  0  0  0  0 
M  END
> <ID>
CHEBI:227356

> <NAME>
Bohemamine D

> <STAR>
2

> <IUPAC_NAME>
N-[(5S,8S)-8-hydroxy-5-methyl-1-oxo-6,7-dihydro-5H-pyrrolizin-3-yl]-3-methylbut-2-enamide

> <FORMULA>
C13H18N2O3

> <MASS>
250.298

> <MONOISOTOPIC_MASS>
250.13174

> <CHARGE>
0

> <SMILES>
O=C1C=C(NC(=O)C=C(C)C)N2[C@]1(O)CC[C@@H]2C

> <INCHI>
InChI=1S/C13H18N2O3/c1-8(2)6-12(17)14-11-7-10(16)13(18)5-4-9(3)15(11)13/h6-7,9,18H,4-5H2,1-3H3,(H,14,17)/t9-,13-/m0/s1

> <INCHIKEY>
ONHZYXUXZBVIBC-ZANVPECISA-N

$$$$