Marvin  10070813332D          

 10 10  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  2  0  0  0  0
  1  7  1  0  0  0  0
  9  7  1  0  0  0  0
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  3  2  1  0  0  0  0
  5  6  2  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
 10  4  1  0  0  0  0
M  END
> <ID>
CHEBI:30763

> <NAME>
4-hydroxybenzoic acid

> <DEFINITION>
A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44949; CHEBI:1858; CHEBI:20398

> <SYNONYM>
p-salicylic acid; p-hydroxybenzoic acid; P-HYDROXYBENZOIC ACID; 4-Hydroxybenzoic acid; 4-carboxyphenol

> <IUPAC_NAME>
4-hydroxybenzoic acid

> <FORMULA>
C7H6O3

> <MASS>
138.12074

> <MONOISOTOPIC_MASS>
138.03169

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)

> <INCHIKEY>
FJKROLUGYXJWQN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
970950

> <CAS_REGISTRY_NUMBER>
99-96-7

> <GMELIN_REGISTRY_NUMBER>
3102

> <REAXYS_REGISTRY_NUMBER>
970950

> <CHEMIDPLUS>
99-96-7

> <DRUGBANK_ACCESSION>
DB04242

> <ECMDB_ACCESSION>
ECMDB00500

> <KEGG_COMPOUND_ACCESSION>
C00156

> <KNAPSACK_ACCESSION>
C00000856

> <NIST_CHEMISTRY_WEBBOOK>
99-96-7

> <PDBECHEM_ACCESSION>
PHB

> <WIKIPEDIA_ACCESSION>
4-Hydroxybenzoic_acid

> <YMDB_ACCESSION>
YMDB00495

> <PUBMED_CITATION>
17185273; 22770225; 24128482; 24236566

$$$$