null
  CDK     0224162332
null
 18 20  0  0  0  0  0  0  0  0999 V2000
    4.5063    0.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0716    1.5745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2470    1.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8124    2.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9878    2.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5978    1.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0325    0.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8571    0.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7732    1.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406    0.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5232    1.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4626    1.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3386    2.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7286    2.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5532    2.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0926    2.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8689    2.2293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9464    3.3206    0.0000 O   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  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  3  1  0  0  0  0 
  6  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13  9  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15  5  1  0  0  0  0 
 12 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:108985

> <NAME>
7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid

> <STAR>
2

> <FORMULA>
C13H12N2O3

> <MASS>
244.246

> <MONOISOTOPIC_MASS>
244.08479

> <CHARGE>
0

> <SMILES>
COC1=CC2=C(C=C1)C3=NNC(=C3CC2)C(=O)O

> <INCHI>
InChI=1S/C13H12N2O3/c1-18-8-3-5-9-7(6-8)2-4-10-11(9)14-15-12(10)13(16)17/h3,5-6H,2,4H2,1H3,(H,14,15)(H,16,17)

> <INCHIKEY>
QYTVVDFVUGEKHF-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-20383

$$$$