Ketcher 04171813392D 1   1.00000     0.00000     0

 14 14  0     0  0            999 V2000
   -2.0639   -1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0637   -0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1977    0.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3318   -0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3318   -1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1977   -1.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343    0.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003   -0.0052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343    1.4949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9299   -1.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1978   -2.5051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3319   -3.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   -4.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5342   -2.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  6  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  7  9  2  0     0  0
  1 10  1  0     0  0
  6 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 12 14  2  0     0  0
M  END
> <ID>
CHEBI:140603

> <NAME>
3-acetamido-4-hydroxybenzoic acid

> <DEFINITION>
A monohydroxybenzoic acid that is 4-hydroxybenzoic acid in which the hydrogen at position 3 has been replaced by an acetamido group.

> <STAR>
3

> <SYNONYM>
3-acetylamino-4-hydroxybenzoic acid; 3-(acetylamino)-4-hydroxybenzoic acid

> <IUPAC_NAME>
3-acetamido-4-hydroxybenzoic acid

> <FORMULA>
C9H9NO4

> <MASS>
195.172

> <MONOISOTOPIC_MASS>
195.05316

> <CHARGE>
0

> <SMILES>
C1(=CC=C(C=C1NC(C)=O)C(O)=O)O

> <INCHI>
InChI=1S/C9H9NO4/c1-5(11)10-7-4-6(9(13)14)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H,13,14)

> <INCHIKEY>
BXBFVCYLJXGOGI-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
3531106

> <METACYC_ACCESSION>
CPD-14877

> <PUBMED_CITATION>
17158669; 17617696

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