26 29  0  0  0  0  0  0  0  0999 V2000
   22.9600  -15.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9600  -17.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1500  -17.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4100  -17.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4100  -15.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1500  -15.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7400  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5800  -16.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7400  -15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1600  -19.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1600  -14.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9100  -16.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6100  -17.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6100  -15.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.0100  -17.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7100  -18.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1100  -18.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8100  -17.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1100  -16.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7100  -16.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1900  -19.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0000  -19.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0000  -21.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1900  -21.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3800  -21.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3800  -19.8100    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  1  0     0  0
  8  9  1  0     0  0
  5  9  1  0     0  0
  7 10  2  0     0  0
  9 11  2  0     0  0
  8 12  1  0     0  0
 12 13  1  0     0  0
 12 14  2  0     0  0
 13 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 15 20  1  0     0  0
 13 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 21 26  1  0     0  0
M  END
> <ID>
CHEBI:81896

> <NAME>
Diphenadione

> <STAR>
2

> <SYNONYM>
diphenadione sodium; diphenadion; diphenacin; diphacinone; diphacinon; diphacine; difenadion

> <FORMULA>
C23H16O3

> <MASS>
340.37130

> <MONOISOTOPIC_MASS>
340.10994

> <CHARGE>
0

> <SMILES>
O=C(C(c1ccccc1)c1ccccc1)C1C(=O)c2ccccc2C1=O

> <INCHI>
InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H

> <INCHIKEY>
JYGLAHSAISAEAL-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
82-66-6

> <KEGG_COMPOUND_ACCESSION>
C18698

> <KEGG_DRUG_ACCESSION>
D07136

$$$$