17 21  0  0  0  0  0  0  0  0999 V2000
   23.6037  -18.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6037  -20.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8168  -20.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0300  -20.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0300  -18.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8168  -17.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2431  -17.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2431  -16.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0300  -15.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8168  -16.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2431  -20.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4562  -20.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4562  -18.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6694  -17.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6694  -16.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4562  -15.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4555  -21.4324    0.0000 O   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  1  0     0  0
  1  6  1  0     0  0
  5  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
  6 10  2  0     0  0
  4 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
  7 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
  8 16  1  0     0  0
 11 17  1  0     0  0
 12 17  1  0     0  0
M  END
> <ID>
CHEBI:81605

> <NAME>
Pyrene-4,5-oxide

> <STAR>
2

> <SYNONYM>
Pyrene-4,5-epoxide

> <FORMULA>
C16H10O

> <MASS>
218.25000

> <MONOISOTOPIC_MASS>
218.07316

> <CHARGE>
0

> <SMILES>
O1C2C1c1cccc3ccc4cccc2c4c13

> <INCHI>
InChI=1S/C16H10O/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-16(12)17-15/h1-8,15-16H

> <INCHIKEY>
RJCXKHSGIOKCID-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
37496-00-7

> <KEGG_COMPOUND_ACCESSION>
C18254

$$$$