CDK     1030232200

 19 20  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
    4.4656    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
    4.8781    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
    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  1  0  0  0  0  0  0  0  0  0
    5.4302    0.8907    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
    4.7386   -1.0501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3463    0.3545    0.0000 O   0  0  0  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  0  0  0  0 
  7  4  1  0  0  0  0 
  4  8  1  6  0  0  0 
  5  9  1  0  0  0  0 
 10  6  1  0  0  0  0 
  7 11  1  1  0  0  0 
  7 12  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 14  1  1  0  0  0 
 13 15  2  0  0  0  0 
 13 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
  5  6  1  0  0  0  0 
 10 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:208674

> <NAME>
Bohemamine C

> <STAR>
2

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

> <FORMULA>
C14H20N2O3

> <MASS>
264.325

> <MONOISOTOPIC_MASS>
264.14739

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C14H20N2O3/c1-8(2)5-13(19)15-12-7-11(18)14(4)10(17)6-9(3)16(12)14/h5,7,9-10,17H,6H2,1-4H3,(H,15,19)/t9-,10+,14-/m1/s1

> <INCHIKEY>
ZZUUBNUUMJZTMI-ISTVAULSSA-N

$$$$