Ketcher 08062016362D 1   1.00000     0.00000     0

 14 14  0     0  0            999 V2000
   18.8678   -9.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8678   -8.5944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7304   -8.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5952   -8.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4649   -8.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6020   -9.5921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0000   -8.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0000   -7.0978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1322   -8.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2697   -8.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4018   -8.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4018   -9.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2697  -10.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1322   -9.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  2  7  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  4  6  2  0     0  0
  7  8  2  0     0  0
  7  9  1  0     0  0
  9 10  1  0     0  0
  9 14  2  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
M  END
> <ID>
CHEBI:141362

> <NAME>
N-methylhippuric acid

> <DEFINITION>
An N-acylglycine that is N-methylglycine in which the hydrogen of the amino group is substituted by a benzoyl group.

> <STAR>
3

> <SYNONYM>
N-benzoylsarcosine; N-benzoyl-N-methylglycine; [N-benzoyl-N-methylamino]acetic acid; [benzoyl(methyl)amino]acetic acid; 2-(N-methyl-1-phenylformamido)acetic acid; (N-methyl-1-phenylformamido)acetic acid

> <IUPAC_NAME>
N-benzoyl-N-methylglycine

> <FORMULA>
C10H11NO3

> <MASS>
193.202

> <MONOISOTOPIC_MASS>
193.07389

> <CHARGE>
0

> <SMILES>
CN(CC(O)=O)C(=O)C1=CC=CC=C1

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

> <INCHIKEY>
PKCSYDDSNIJRIX-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2568-34-5

> <CHEMIDPLUS>
2568-34-5

> <PUBMED_CITATION>
1906108; 5870758; 895504

$$$$