Marvin  11081010542D          

 13 13  0  0  0  0            999 V2000
    9.5782   -6.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2863   -7.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9980   -6.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7024   -7.2601    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.0169   -6.0097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8637   -7.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1493   -6.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8637   -8.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4349   -5.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7203   -6.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7203   -6.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4349   -7.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1493   -6.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
 12  7  2  0  0  0  0
  7 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
M  CHG  1   4  -1
M  END
> <ID>
CHEBI:606565

> <NAME>
N-benzoylglycinate

> <DEFINITION>
An α-amino-acid anion that is the conjugate base of N-benzoylglycine; major species at pH 7.3.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:24594

> <SYNONYM>
N-benzoylglycine; N-benzoylglycinate(1-); N-benzoylglycinate anion; hippurate; 2-benzamidoacetate

> <IUPAC_NAME>
(benzoylamino)acetate

> <FORMULA>
C9H8NO3

> <MASS>
178.16470

> <MONOISOTOPIC_MASS>
178.05097

> <CHARGE>
-1

> <SMILES>
[O-]C(=O)CNC(=O)c1ccccc1

> <INCHI>
InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/p-1

> <INCHIKEY>
QIAFMBKCNZACKA-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3610359

> <GMELIN_REGISTRY_NUMBER>
329632

> <REAXYS_REGISTRY_NUMBER>
3610359

> <METACYC_ACCESSION>
CPD-425

> <PUBMED_CITATION>
22153801

$$$$