14 15  0  0  0  0  0  0  0  0999 V2000
   16.1700  -16.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700  -18.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3824  -18.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5949  -18.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5949  -16.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3824  -15.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8073  -18.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0197  -18.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0197  -16.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8073  -15.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8073  -14.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8073  -20.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2173  -15.9685    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   22.2173  -18.7515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
  5 10  1  0     0  0
 10 11  2  0     0  0
  7 12  2  0     0  0
  9 13  1  0     0  0
  8 14  1  0     0  0
M  END
> <ID>
CHEBI:81849

> <NAME>
Quinoclamin

> <STAR>
2

> <FORMULA>
C10H6ClNO2

> <MASS>
207.61300

> <MONOISOTOPIC_MASS>
207.00871

> <CHARGE>
0

> <SMILES>
NC1=C(Cl)C(=O)c2ccccc2C1=O

> <INCHI>
InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2

> <INCHIKEY>
OBLNWSCLAYSJJR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2797-51-5

> <KEGG_COMPOUND_ACCESSION>
C18584

> <LINCS_ACCESSION>
LSM-6261

$$$$