26 31  0  0  0  0  0  0  0  0999 V2000
   17.9900  -18.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9900  -19.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2024  -20.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4149  -19.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4149  -18.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2024  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6273  -20.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8397  -19.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8397  -18.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6273  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0522  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0522  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8397  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6273  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0522  -20.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2646  -19.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2646  -18.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4770  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4770  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2646  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6895  -18.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9019  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9019  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6895  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6273  -21.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2646  -14.2100    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  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
  9 10  1  0     0  0
  5 10  1  0     0  0
  9 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 10 14  2  0     0  0
  8 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 11  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 12 20  1  0     0  0
 18 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 19 24  2  0     0  0
  7 25  2  0     0  0
 20 26  2  0     0  0
M  END
> <ID>
CHEBI:82548

> <NAME>
Vat Yellow 4

> <STAR>
2

> <SYNONYM>
Dibenzo[b,def]chrysene-7,14-dione; C.I. Vat Yellow 4

> <FORMULA>
C24H12O2

> <MASS>
332.35090

> <MONOISOTOPIC_MASS>
332.08373

> <CHARGE>
0

> <SMILES>
O=c1c2ccccc2c2ccc3c4c(ccc1c24)c1ccccc1c3=O

> <INCHI>
InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H

> <INCHIKEY>
ZTWQZJLUUZHJGS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
128-66-5

> <KEGG_COMPOUND_ACCESSION>
C19545

$$$$