null
  CDK     0224162156
null
 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.3266   -4.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6121   -5.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1023   -4.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8168   -5.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5313   -4.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5313   -3.9041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458   -5.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458   -5.9666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602   -6.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747   -5.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747   -5.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602   -4.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4593   -4.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7949   -4.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6154   -4.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1003   -4.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7647   -5.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9442   -5.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4593   -6.2216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12  7  1  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:93491

> <NAME>
9H-pyrido[3,4-b]indole-3-carboxylic acid propyl ester

> <STAR>
2

> <FORMULA>
C15H14N2O2

> <MASS>
254.284

> <MONOISOTOPIC_MASS>
254.10553

> <CHARGE>
0

> <SMILES>
CCCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2

> <INCHI>
InChI=1S/C15H14N2O2/c1-2-7-19-15(18)13-8-11-10-5-3-4-6-12(10)17-14(11)9-16-13/h3-6,8-9,17H,2,7H2,1H3

> <INCHIKEY>
WGRVAGIQTHEEQW-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-3910

$$$$