21 25  0  0  0  0  0  0  0  0999 V2000
   24.0284  -18.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2193  -17.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8374  -17.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0284  -19.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2193  -16.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4802  -18.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6465  -18.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8374  -16.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8374  -20.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2193  -20.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0284  -15.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4802  -15.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4802  -19.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6711  -17.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6465  -19.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3856  -17.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6711  -16.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4556  -20.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1947  -18.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1947  -19.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9838  -20.2575    0.0000 O   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  1  0     0  0
  4 10  2  0     0  0
  5 11  1  0     0  0
  5 12  2  0     0  0
  6 13  2  0     0  0
  6 14  1  0     0  0
  7 15  1  0     0  0
  7 16  1  0     0  0
 12 17  1  0     0  0
 15 18  1  0     0  0
 16 19  2  0     0  0
 18 20  2  0     0  0
  8 11  2  0     0  0
  9 15  2  0     0  0
 10 13  1  0     0  0
 14 17  2  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
M  END
> <ID>
CHEBI:34493

> <NAME>
8-Hydroxybenzo[a]pyrene

> <STAR>
2

> <SYNONYM>
8-Hydroxybenzo[a]pyrene

> <FORMULA>
C20H12O

> <MASS>
268.309

> <MONOISOTOPIC_MASS>
268.08882

> <CHARGE>
0

> <SMILES>
Oc1ccc2c(c1)cc1ccc3cccc4ccc2c1c34

> <INCHI>
InChI=1S/C20H12O/c21-16-7-9-17-15(11-16)10-14-5-4-12-2-1-3-13-6-8-18(17)20(14)19(12)13/h1-11,21H

> <INCHIKEY>
OWEZWMDNHHTXJU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
13345-26-1

> <KEGG_COMPOUND_ACCESSION>
C14557

$$$$