Marvin  02240915572D          

 11 11  0  0  0  0            999 V2000
    0.0000    0.8250    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
    0.7145   -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   -0.4125    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
    1.4289    0.8250    0.0000 C   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    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  2  0  0  0  0
  2  7  1  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  5  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  3  2  0  0  0  0
  3  2  1  0  0  0  0
  3 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
M  CHG  1   8  -1
M  END
> <ID>
CHEBI:36654

> <NAME>
2,3-dihydroxybenzoate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11427; CHEBI:19319

> <SYNONYM>
catechol-3-carboxylate; 3-hydroxysalicylate; 2-pyrocatechuate; 2,3-Dihydroxybenzoate; 2,3-dihydroxybenzoate

> <IUPAC_NAME>
2,3-dihydroxybenzoate

> <FORMULA>
C7H5O4

> <MASS>
153.11220

> <MONOISOTOPIC_MASS>
153.01933

> <CHARGE>
-1

> <SMILES>
Oc1cccc(C([O-])=O)c1O

> <INCHI>
InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)/p-1

> <INCHIKEY>
GLDQAMYCGOIJDV-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3666805

> <KEGG_COMPOUND_ACCESSION>
C00196

$$$$