Ketcher 04271510472D 1   1.00000     0.00000     0

 11 10  0     0  0            999 V2000
    9.6252   12.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7652   12.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9053   12.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0453   12.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1857   12.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3258   12.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6252   13.5197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4852   12.0290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3534   12.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2220   12.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0905   12.5305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  8  1  1  0     0  0
  7  1  2  0     0  0
  3  2  1  0     0  0
  3  4  1  0     0  0
  5  4  1  0     0  0
  5  6  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
M  END
> <ID>
CHEBI:85303

> <NAME>
N-(hexanoyl)ethanolamine

> <DEFINITION>
An N-saturated fatty acyl-ethanolamine that is the ethanolamide of hexanoic acid.

> <STAR>
3

> <SYNONYM>
N-hexanoylethanolamine; N-hexanoyl ethanolamine; N-caproyl ethanolamine

> <IUPAC_NAME>
N-(2-hydroxyethyl)hexanamide

> <FORMULA>
C8H17NO2

> <MASS>
159.22610

> <MONOISOTOPIC_MASS>
159.12593

> <CHARGE>
0

> <SMILES>
CCCCCC(=O)NCCO

> <INCHI>
InChI=1S/C8H17NO2/c1-2-3-4-5-8(11)9-6-7-10/h10H,2-7H2,1H3,(H,9,11)

> <INCHIKEY>
HVVJCLNYMSTOMR-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
606054

> <PUBMED_CITATION>
12810076; 15630208; 16527816

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