Marvin  10070813362D          

 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  5  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  CHG  1   9  -1
M  END
> <ID>
CHEBI:17879

> <NAME>
4-hydroxybenzoate

> <DEFINITION>
The conjugate base of 4-hydroxybenzoic acid, comprising a 4-hydroxybenzoic acid core with a proton missing to give a charge of -1.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:20397; CHEBI:12003

> <SYNONYM>
p-hydroxybenzoate; 4-hydroxybenzoic acid, ion(1-); 4-hydroxybenzoate

> <IUPAC_NAME>
4-hydroxybenzoate

> <FORMULA>
C7H5O3

> <MASS>
137.11280

> <MONOISOTOPIC_MASS>
137.02442

> <CHARGE>
-1

> <SMILES>
Oc1ccc(cc1)C([O-])=O

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

> <INCHIKEY>
FJKROLUGYXJWQN-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3589159

> <CAS_REGISTRY_NUMBER>
456-23-5

> <GMELIN_REGISTRY_NUMBER>
326508

> <REAXYS_REGISTRY_NUMBER>
3589159

> <CHEMIDPLUS>
456-23-5

> <KEGG_COMPOUND_ACCESSION>
C00156

> <METACYC_ACCESSION>
4-hydroxybenzoate

> <PUBMED_CITATION>
35585492; 36161690

$$$$