Marvin  11231214482D          

 14 14  0  0  0  0            999 V2000
   11.4337   -8.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7193   -7.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7193   -9.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0048   -7.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5771   -7.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4337   -7.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0048   -8.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2916   -7.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1482   -7.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8627   -7.9157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2903   -9.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0061   -7.5032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2916   -8.7407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1482   -6.6782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  6  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
M  END
> <ID>
CHEBI:71018

> <NAME>
p-hydroxyhippuric acid

> <DEFINITION>
An N-acylglycine that is the 4-hydroxy derivative of hippuric acid.

> <STAR>
3

> <SYNONYM>
4-Hydroxyhippuric acid; 4-Hydroxybenzoylglycine

> <IUPAC_NAME>
N-(4-hydroxybenzoyl)glycine; [(4-hydroxybenzoyl)amino]acetic acid

> <FORMULA>
C9H9NO4

> <MASS>
195.17210

> <MONOISOTOPIC_MASS>
195.05316

> <CHARGE>
0

> <SMILES>
OC(=O)CNC(=O)c1ccc(O)cc1

> <INCHI>
InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)

> <INCHIKEY>
ZMHLUFWWWPBTIU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2482-25-9

> <REAXYS_REGISTRY_NUMBER>
2110458

> <CHEMIDPLUS>
2482-25-9

> <PUBMED_CITATION>
22770225; 2620456; 6547446

$$$$