Ketcher 08041514272D 1   1.00000     0.00000     0

 14 13  0     0  0            999 V2000
   13.5551  -10.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5551  -11.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6894   -9.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6894  -11.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8237  -10.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8237  -11.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4208   -9.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2865  -10.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4208  -11.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1581   -9.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0222  -10.1454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1607   -8.6436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8893   -9.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7536  -10.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
  7  1  1  0     0  0
  8  7  2  0     0  0
  9  2  1  0     0  0
  8 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
 11 13  1  0     0  0
 13 14  1  0     0  0
M  END
> <ID>
CHEBI:87324

> <NAME>
ethyl (2E)-2-decenoate

> <DEFINITION>
A fatty acid ethyl ester obtained by the formal condensation of trans-2-decenoic acid with ethanol.

> <STAR>
3

> <SYNONYM>
trans-2-decenoic acid ethyl ester

> <IUPAC_NAME>
ethyl (2E)-dec-2-enoate

> <FORMULA>
C12H22O2

> <MASS>
198.30190

> <MONOISOTOPIC_MASS>
198.16198

> <CHARGE>
0

> <SMILES>
CCCCCCC\C=C\C(=O)OCC

> <INCHI>
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10+

> <INCHIKEY>
GNJARWZWODMTDR-ZHACJKMWSA-N

> <CAS_REGISTRY_NUMBER>
7367-88-6

> <REAXYS_REGISTRY_NUMBER>
1704867

> <CHEMIDPLUS>
7367-88-6

$$$$