Ketcher 06261514362D 1   1.00000     0.00000     0

 14 14  0     0  0            999 V2000
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    6.6135   -5.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6135   -6.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4795   -6.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3455   -6.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3455   -5.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4795   -3.6703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2116   -4.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2116   -3.6703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0776   -5.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9436   -4.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8097   -5.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6758   -4.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5418   -5.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
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  1  7  1  0     0  0
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  8  9  2  0     0  0
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 12 13  1  0     0  0
 13 14  1  0     0  0
M  END
> <ID>
CHEBI:86192

> <NAME>
butyl anthranilate

> <DEFINITION>
A benzoate ester obtained by formal condensation of the carboxy group of anthranilic acid with the hydroxy group of butanol. Found in several fruit species, it is used as a flavouring and fragrance agent and also exhibits insect repellent properties.

> <STAR>
3

> <SYNONYM>
n-Butyl o-aminobenzoate; n-Butyl anthranilate; Butyl o-aminobenzoate; Butyl 2-aminobenzoate; Anthranilic acid, butyl ester; 2-Aminobenzoic acid butyl ester

> <FORMULA>
C11H15NO2

> <MASS>
193.24230

> <MONOISOTOPIC_MASS>
193.11028

> <CHARGE>
0

> <SMILES>
CCCCOC(=O)c1ccccc1N

> <INCHI>
InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3

> <INCHIKEY>
HUIYGGQINIVDNW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
7756-96-9

> <REAXYS_REGISTRY_NUMBER>
388241

> <CHEMIDPLUS>
7756-96-9

> <NIST_CHEMISTRY_WEBBOOK>
7756-96-9

> <PUBMED_CITATION>
24089210; 25079819; 25349401

$$$$