Ketcher 06181914222D 1   1.00000     0.00000     0

 19 19  0     0  0            999 V2000
    8.7078   -7.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -8.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -9.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7078   -9.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5736   -9.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5736   -8.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7078   -6.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4398   -7.5399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5736   -6.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -6.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3058   -8.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1718   -7.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0377   -8.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9038   -7.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7698   -8.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6357   -7.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5018   -8.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3679   -7.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3058   -9.0399    0.0000 O   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
  1  6  2  0     0  0
  1  7  1  0     0  0
  6  8  1  0     0  0
  7  9  1  0     0  0
  7 10  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
  8 11  1  0     0  0
 17 18  1  0     0  0
 11 19  2  0     0  0
M  END
> <ID>
CHEBI:143902

> <NAME>
N-octanoylanthranilic acid

> <DEFINITION>
An amidobenzoic acid resulting from the formal condensation of the carboxy group of octanoic acid with the amino group of anthranilic acid.

> <STAR>
3

> <SYNONYM>
2-octanamidobenzoic acid

> <IUPAC_NAME>
2-(octanoylamino)benzoic acid

> <FORMULA>
C15H21NO3

> <MASS>
263.337

> <MONOISOTOPIC_MASS>
263.15214

> <CHARGE>
0

> <SMILES>
C=1(C=CC=CC1NC(CCCCCCC)=O)C(O)=O

> <INCHI>
InChI=1S/C15H21NO3/c1-2-3-4-5-6-11-14(17)16-13-10-8-7-9-12(13)15(18)19/h7-10H,2-6,11H2,1H3,(H,16,17)(H,18,19)

> <INCHIKEY>
DIBJPKPIMHBNDD-UHFFFAOYSA-N

> <PUBMED_CITATION>
20064436; 26319870

$$$$