2,5-dihydroxybenzoate
  CDK    2/12/10,15:27

 11 11  0  0  0  0  0  0  0  0999 V2000
    5.4362   -2.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1481   -3.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1536   -4.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4390   -4.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7189   -4.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7216   -3.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4390   -2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1536   -1.6738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7189   -1.6633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8627   -2.9029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0043   -4.5520    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 
 10  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 
 11  5  1  0  0  0  0 
M  CHG  1   9  -1
M  END
> <ID>
CHEBI:58044

> <NAME>
2,5-dihydroxybenzoate

> <DEFINITION>
A  dihydroxybenzoate that is the conjugate base of 2,5-dihydroxybenzoic acid; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
hydroquinonecarboxylate; gentisate; 5-hydroxysalicylate; 2,5-dihydroxybenzoate anion; 2,5-dihydroxybenzoate

> <IUPAC_NAME>
2,5-dihydroxybenzoate

> <FORMULA>
C7H5O4

> <MASS>
153.11220

> <MONOISOTOPIC_MASS>
153.01933

> <CHARGE>
-1

> <SMILES>
Oc1ccc(O)c(c1)C([O-])=O

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

> <INCHIKEY>
WXTMDXOMEHJXQO-UHFFFAOYSA-M

> <CAS_REGISTRY_NUMBER>
490-80-2

> <REAXYS_REGISTRY_NUMBER>
3906049

> <CHEMIDPLUS>
490-80-2

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