ChEBI
  Marvin  09090514252D          

 11 11  0  0  0  0            999 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  END
> <ID>
CHEBI:17189

> <NAME>
2,5-dihydroxybenzoic acid

> <DEFINITION>
A dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19381; CHEBI:19382; CHEBI:11451; CHEBI:936

> <SYNONYM>
Hydroquinonecarboxylic acid; Gentisic acid; Gentisate; 5-hydroxysalicylic acid; 2,5-Dihydroxybenzoic acid; 2,5-dihydroxybenzoic acid; 2,5-Dihydroxybenzoate

> <IUPAC_NAME>
2,5-dihydroxybenzoic acid

> <FORMULA>
C7H6O4

> <MASS>
154.12014

> <MONOISOTOPIC_MASS>
154.02661

> <CHARGE>
0

> <SMILES>
OC(=O)c1cc(O)ccc1O

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

> <INCHIKEY>
WXTMDXOMEHJXQO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
490-79-9

> <REAXYS_REGISTRY_NUMBER>
2209119

> <CHEMIDPLUS>
490-79-9

> <KEGG_COMPOUND_ACCESSION>
C00628

> <KNAPSACK_ACCESSION>
C00002648

> <LINCS_ACCESSION>
LSM-19031

> <METACYC_ACCESSION>
CPD-633

> <PDBECHEM_ACCESSION>
GTQ

> <WIKIPEDIA_ACCESSION>
Gentisic_acid

> <PUBMED_CITATION>
15862799; 18314336; 22770225; 24547933

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