22 27  0  0  0  0  0  0  0  0999 V2000
   15.8900  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8900  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1024  -18.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3149  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3149  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1024  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5273  -18.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7397  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7397  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5273  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9522  -18.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1646  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1646  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9522  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5273  -14.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3149  -13.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1024  -14.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9522  -14.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7397  -13.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3770  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3770  -14.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1646  -13.5100    0.0000 C   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  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
  5 10  1  0     0  0
  8 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
  9 14  1  0     0  0
 10 15  1  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
  6 17  1  0     0  0
 14 18  1  0     0  0
 18 19  1  0     0  0
 15 19  2  0     0  0
 13 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 18  2  0     0  0
M  END
> <ID>
CHEBI:82389

> <NAME>
Anthanthrene

> <STAR>
2

> <SYNONYM>
Dibenzo[cd,jk]pyrene

> <FORMULA>
C22H12

> <MASS>
276.33070

> <MONOISOTOPIC_MASS>
276.09390

> <CHARGE>
0

> <SMILES>
c1cc2ccc3cc4cccc5ccc6cc(c1)c2c3c6c45

> <INCHI>
InChI=1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H

> <INCHIKEY>
YFIJJNAKSZUOLT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
191-26-4

> <KEGG_COMPOUND_ACCESSION>
C19327

$$$$