Ketcher 07312309582D 1   1.00000     0.00000     0

 13 12  0     0  0            999 V2000
    5.5044   -5.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3705   -4.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2365   -5.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1025   -4.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9685   -5.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8346   -4.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7006   -5.0713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8346   -3.5713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5666   -4.5713    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    5.5044   -6.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3704   -6.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2365   -6.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1025   -6.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  6  7  1  0     0  0
  6  8  2  0     0  0
  7  9  1  0     0  0
  1 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
M  END
> <ID>
CHEBI:87658

> <NAME>
decanoate ester

> <DEFINITION>
A fatty acid ester resulting from the formal condensation of the carboxy group of decanoic acid (capric acid) with the hydroxy group of an alcohol or phenol.

> <STAR>
3

> <SYNONYM>
n-decanoate esters; n-decanoate ester; decanoate esters; decanoate ester; caprate esters; caprate ester

> <FORMULA>
C10H19O2R

> <MASS>
171.257

> <MONOISOTOPIC_MASS>
171.13850

> <CHARGE>
0

> <SMILES>
CCCCCCCCCC(=O)O[*]

> <PUBMED_CITATION>
23383323

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