16 17  0  0  0  0  0  0  0  0999 V2000
   12.5300  -22.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5300  -23.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7424  -24.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9549  -23.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9549  -22.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7424  -21.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1860  -21.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3912  -22.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5735  -21.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7675  -22.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9554  -21.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1465  -22.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3590  -21.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3590  -19.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1679  -19.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9555  -19.9552    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
  5  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 11 16  1  0     0  0
M  END
> <ID>
CHEBI:35100

> <NAME>
trans,trans-1,4-Diphenyl-1,3-butadiene

> <STAR>
2

> <SYNONYM>
trans,trans-1,4-Diphenyl-1,3-butadiene

> <FORMULA>
C16H14

> <MASS>
206.283

> <MONOISOTOPIC_MASS>
206.10955

> <CHARGE>
0

> <SMILES>
c1ccc(cc1)\C=C\C=C\c1ccccc1

> <INCHI>
InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+

> <INCHIKEY>
JFLKFZNIIQFQBS-FNCQTZNRSA-N

> <KEGG_COMPOUND_ACCESSION>
C14761

$$$$