Ketcher 04191811092D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
   11.8896   -7.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7562   -7.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8896   -8.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0189   -7.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6143   -7.8989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7562   -6.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0189   -9.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1526   -7.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1526   -8.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2902   -9.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  1  0     0  0
  4  8  2  0     0  0
  7  9  2  0     0  0
  9 10  1  0     0  0
  8  9  1  0     0  0
M  END
> <ID>
CHEBI:30753

> <NAME>
4-aminobenzoic acid

> <DEFINITION>
An aminobenzoic acid in which the amino group is para to the carboxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44778; CHEBI:113372; CHEBI:1783; CHEBI:20315

> <SYNONYM>
para-aminobenzoic acid; PABA; p-carboxyphenylamine; p-carboxyaniline; p-aminobenzoic acid; p-Aminobenzoesaeure; gamma-Aminobenzoic acid; gamma-aminobenzoic acid; ABEE; 4-Carboxyphenylamine; 4-Carboxyaniline; 4-AMINOBENZOIC ACID; 4-Aminobenzoic acid; 4-Aminobenzoesaeure; 4-Amino-benzoic acid; 1-Amino-4-carboxybenzene

> <IUPAC_NAME>
4-aminobenzoic acid

> <FORMULA>
C7H7NO2

> <MASS>
137.136

> <MONOISOTOPIC_MASS>
137.04768

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)

> <INCHIKEY>
ALYNCZNDIQEVRV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
471605

> <CAS_REGISTRY_NUMBER>
150-13-0

> <GMELIN_REGISTRY_NUMBER>
50150

> <REAXYS_REGISTRY_NUMBER>
471605

> <CHEMIDPLUS>
150-13-0

> <DRUGBANK_ACCESSION>
DB02362

> <ECMDB_ACCESSION>
ECMDB01392

> <KEGG_COMPOUND_ACCESSION>
C00568

> <KEGG_DRUG_ACCESSION>
D02456

> <KNAPSACK_ACCESSION>
C00001401

> <NIST_CHEMISTRY_WEBBOOK>
150-13-0

> <PDBECHEM_ACCESSION>
PAB

> <WIKIPEDIA_ACCESSION>
4-Aminobenzoic_acid

> <YMDB_ACCESSION>
YMDB00493

> <PUBMED_CITATION>
14745019; 17743450; 17800214; 19469519; 22767283; 22994574; 23063996; 23084339; 23144588; 23471007; 12039592; 15115392; 1527790; 16290145; 17149871; 3599019; 3820215; 3950915; 8411009; 9406595

$$$$