Marvin  11061215402D          

 14 14  0  0  0  0            999 V2000
   12.9016   -7.9232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1873   -6.6852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0484   -8.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7606   -7.5063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4751   -7.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6164   -7.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1871   -7.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0536   -7.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3391   -7.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6244   -7.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3367   -6.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9100   -7.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6222   -6.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9101   -6.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
> <ID>
CHEBI:70869

> <NAME>
methyl hippurate

> <DEFINITION>
A glycine derivative that is the methyl ester of hippuric acid.

> <STAR>
3

> <SYNONYM>
N-Benzoylglycine methyl ester; N-benzoyl-Glycine methyl ester; Hippuric acid methyl ester; Hippurate methyl ester

> <IUPAC_NAME>
methyl N-benzoylglycinate; methyl (benzoylamino)acetate

> <FORMULA>
C10H11NO3

> <MASS>
193.19920

> <MONOISOTOPIC_MASS>
193.07389

> <CHARGE>
0

> <SMILES>
COC(=O)CNC(=O)c1ccccc1

> <INCHI>
InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)

> <INCHIKEY>
XTKVNQKOTKPCKM-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1205-08-9

> <REAXYS_REGISTRY_NUMBER>
1912254

> <CHEMIDPLUS>
1205-08-9

$$$$