22 24  0  0  1  0  0  0  0  0999 V2000
   12.4600  -17.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4600  -18.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6724  -19.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8849  -18.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8849  -17.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6724  -16.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0973  -19.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3097  -18.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3097  -17.5700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0973  -16.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5222  -16.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5222  -15.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3097  -14.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0973  -15.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7553  -14.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9615  -15.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7550  -13.3701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2476  -19.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0521  -18.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1433  -14.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3376  -15.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1673  -18.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  5 10  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 10 14  1  0     0  0
 12 15  1  6     0  0
 15 16  1  0     0  0
 15 17  2  0     0  0
  2 18  1  0     0  0
 18 19  1  0     0  0
 16 20  1  0     0  0
 20 21  1  0     0  0
 10 22  1  1     0  0
M  END
> <ID>
CHEBI:79600

> <NAME>
trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester

> <STAR>
2

> <FORMULA>
C17H23NO3

> <MASS>
289.36940

> <MONOISOTOPIC_MASS>
289.16779

> <CHARGE>
0

> <SMILES>
CCOC(=O)[C@H]1CC[C@@H]2N(CCc3cc(OC)ccc23)C1

> <INCHI>
InChI=1S/C17H23NO3/c1-3-21-17(19)13-4-7-16-15-6-5-14(20-2)10-12(15)8-9-18(16)11-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3/t13-,16-/m0/s1

> <INCHIKEY>
GVIQKSWGRJBTDB-BBRMVZONSA-N

> <KEGG_COMPOUND_ACCESSION>
C15081

$$$$