375105
  CDK     0602212310

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.5210   -1.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -1.5052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    1.7946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5306   -0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5306    0.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781   -0.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781    0.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  2  7  2  0  0  0  0 
  3  8  2  0  0  0  0 
  4  5  2  0  0  0  0 
  4  7  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5 11  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6 10  2  0  0  0  0 
  6 14  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 12  2  0  0  0  0 
 11 13  2  0  0  0  0 
 12 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:173524

> <NAME>
Isoplumbagin

> <STAR>
2

> <IUPAC_NAME>
8-hydroxy-2-methylnaphthalene-1,4-dione

> <FORMULA>
C11H8O3

> <MASS>
188.182

> <MONOISOTOPIC_MASS>
188.04734

> <CHARGE>
0

> <SMILES>
OC=1C2=C(C(=O)C=C(C2=O)C)C=CC1

> <INCHI>
InChI=1S/C11H8O3/c1-6-5-9(13)7-3-2-4-8(12)10(7)11(6)14/h2-5,12H,1H3

> <INCHIKEY>
ZMOIGGHUSNHCAB-UHFFFAOYSA-N

$$$$