13 14  0  0  0  0  0  0  0  0999 V2000
   28.2513  -16.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2572  -15.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4637  -17.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0508  -17.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4754  -14.8298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.0508  -14.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6819  -16.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4578  -19.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8326  -16.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6876  -15.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8326  -15.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8883  -17.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9000  -14.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  3  8  1  0     0  0
  4  9  2  0     0  0
  5 10  2  0     0  0
  6 11  2  0     0  0
  7 12  1  0     0  0
 10 13  1  0     0  0
  7 10  1  0     0  0
  9 11  1  0     0  0
M  END
> <ID>
CHEBI:1215

> <NAME>
2-Methylquinoline-3,4-diol

> <STAR>
2

> <SYNONYM>
2-Methylquinoline-3,4-diol

> <FORMULA>
C10H9NO2

> <MASS>
175.184

> <MONOISOTOPIC_MASS>
175.06333

> <CHARGE>
0

> <SMILES>
Cc1nc2ccccc2c(O)c1O

> <INCHI>
InChI=1S/C10H9NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h2-5,12H,1H3,(H,11,13)

> <INCHIKEY>
FSCXZVPPDJYLDD-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C06331

> <PDBECHEM_ACCESSION>
HQD

$$$$