Marvin  12110911542D          

 14 14  0  0  0  0            999 V2000
   11.5192   -5.2116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2317   -5.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9442   -5.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9400   -4.3824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6567   -5.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7193   -5.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5818   -5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5818   -4.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2979   -3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100   -4.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100   -5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2979   -5.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7151   -6.4491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8652   -3.9741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 11  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6 13  2  0  0  0  0
  3  4  2  0  0  0  0
  8 14  1  0  0  0  0
M  END
> <ID>
CHEBI:104011

> <NAME>
p-aminohippuric acid

> <DEFINITION>
An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:59134

> <SYNONYM>
paraaminohippuric acid; para-Aminohippuric acid; Paha; PAH; p-aminohippurate; N-(para-aminobenzoyl)glycine; N-(p-Aminobenzoyl)glycine; N-(p-Aminobenzoyl)aminoacetic acid; Aminohippuric acid; 4-aminohippuric acid

> <IUPAC_NAME>
N-(4-aminobenzoyl)glycine

> <FORMULA>
C9H10N2O3

> <MASS>
194.18730

> <MONOISOTOPIC_MASS>
194.06914

> <CHARGE>
0

> <SMILES>
Nc1ccc(cc1)C(=O)NCC(O)=O

> <INCHI>
InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)

> <INCHIKEY>
HSMNQINEKMPTIC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1216376

> <CAS_REGISTRY_NUMBER>
61-78-9

> <GMELIN_REGISTRY_NUMBER>
848144

> <REAXYS_REGISTRY_NUMBER>
1213676

> <CHEMIDPLUS>
61-78-9

> <DRUGBANK_ACCESSION>
DB00345

> <KEGG_DRUG_ACCESSION>
D06890

> <LINCS_ACCESSION>
LSM-5739

> <WIKIPEDIA_ACCESSION>
Aminohippuric_Acid

> <PUBMED_CITATION>
11060218; 11078692; 11443229; 12523660; 12552490; 17190852; 20439170; 22036005; 22273603; 22406909; 22460716; 2496229

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