Marvin  04191316582D          

 11 11  0  0  0  0            999 V2000
   -0.4714    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1859    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1859    0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4714   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430    0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4714    2.1214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575    2.1214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720    0.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:73244

> <NAME>
methyl anthranilate

> <DEFINITION>
A benzoate ester that is the methyl ester of anthranilic acid.

> <STAR>
3

> <SYNONYM>
O-methyl anthranilate; o-Carbomethoxyaniline; o-Aminobenzoic acid methyl ester; Methyl o-aminobenzoate; Anthranilic acid methyl ester; 2-Carbomethoxyaniline; 2-Aminobenzoic acid methyl ester; 2-(Methoxycarbonyl)aniline; 2-(Methoxycarbonyl)aniline

> <FORMULA>
C8H9NO2

> <MASS>
151.16260

> <MONOISOTOPIC_MASS>
151.06333

> <CHARGE>
0

> <SMILES>
COC(=O)c1ccccc1N

> <INCHI>
InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3

> <INCHIKEY>
VAMXMNNIEUEQDV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
134-20-3

> <REAXYS_REGISTRY_NUMBER>
606965

> <CHEMIDPLUS>
134-20-3

> <NIST_CHEMISTRY_WEBBOOK>
134-20-3

> <WIKIPEDIA_ACCESSION>
Methyl_anthranilate

> <PUBMED_CITATION>
19645280; 20519632; 21882683; 22457628; 22499556

$$$$