Marvin  10070813412D          

 10 10  0  0  0  0            999 V2000
    0.7145   -0.4125    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
    0.0000   -1.6500    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
   -0.7144   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    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  1  0  0  0  0
  6  1  2  0  0  0  0
  3  2  2  0  0  0  0
  5  6  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  2  0  0  0  0
  5 10  1  0  0  0  0
M  CHG  1   9  -1
M  END
> <ID>
CHEBI:16193

> <NAME>
3-hydroxybenzoate

> <DEFINITION>
A monohydroxybenzoate that is the conjugate base of 3-hydroxybenzoic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11828; CHEBI:20063

> <SYNONYM>
3-hydroxybenzoate

> <IUPAC_NAME>
3-hydroxybenzoate

> <FORMULA>
C7H5O3

> <MASS>
137.11280

> <MONOISOTOPIC_MASS>
137.02442

> <CHARGE>
-1

> <SMILES>
Oc1cccc(c1)C([O-])=O

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

> <INCHIKEY>
IJFXRHURBJZNAO-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3904772

> <GMELIN_REGISTRY_NUMBER>
327380

> <REAXYS_REGISTRY_NUMBER>
3904772

> <KEGG_COMPOUND_ACCESSION>
C00587

> <METACYC_ACCESSION>
3-HYDROXYBENZOATE

$$$$