13 13  0  0  0  0  0  0  0  0999 V2000
   35.3155  -21.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3271  -19.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5235  -21.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1016  -21.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1250  -18.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5118  -23.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0900  -23.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1365  -17.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2921  -23.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9286  -16.8629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.3505  -16.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7089  -17.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5066  -16.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  2  0     0  0
  3  6  2  0     0  0
  4  7  1  0     0  0
  5  8  1  0     0  0
  6  9  1  0     0  0
  8 10  1  0     0  0
  8 11  2  0     0  0
 10 12  1  0     0  0
 12 13  1  0     0  0
  7  9  2  0     0  0
M  END
> <ID>
CHEBI:4895

> <NAME>
Ethyl cinnamate

> <STAR>
2

> <SYNONYM>
Ethyl cinnamate

> <FORMULA>
C11H12O2

> <MASS>
176.212

> <MONOISOTOPIC_MASS>
176.08373

> <CHARGE>
0

> <SMILES>
CCOC(=O)\C=C\c1ccccc1

> <INCHI>
InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+

> <INCHIKEY>
KBEBGUQPQBELIU-CMDGGOBGSA-N

> <KEGG_COMPOUND_ACCESSION>
C06359

$$$$