Marvin  02240915562D          

 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  0  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  END
> <ID>
CHEBI:18026

> <NAME>
2,3-dihydroxybenzoic acid

> <DEFINITION>
A dihydroxybenzoic acid that is  benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41901; CHEBI:885; CHEBI:19320

> <SYNONYM>
pyrocatechuic acid; o-pyrocatechuic acid; DOBK; catechol-3-carboxylic acid; 3-hydroxysalicylic acid; 2-pyrocatechuic acid; 2,3-Dihydroxybenzoic acid; 2,3-dihydroxybenzoic acid; 2,3-DIHYDROXY-BENZOIC ACID; 2,3 DHB

> <IUPAC_NAME>
2,3-dihydroxybenzoic acid

> <FORMULA>
C7H6O4

> <MASS>
154.12010

> <MONOISOTOPIC_MASS>
154.02661

> <CHARGE>
0

> <SMILES>
OC(=O)c1cccc(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)

> <INCHIKEY>
GLDQAMYCGOIJDV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2209117

> <CAS_REGISTRY_NUMBER>
303-38-8

> <REAXYS_REGISTRY_NUMBER>
2209117

> <CHEMIDPLUS>
303-38-8

> <DRUGBANK_ACCESSION>
DB01672

> <KEGG_COMPOUND_ACCESSION>
C00196

> <KNAPSACK_ACCESSION>
C00002669

> <NIST_CHEMISTRY_WEBBOOK>
303-38-8

> <PDBECHEM_ACCESSION>
DBH

> <WIKIPEDIA_ACCESSION>
2,3-Dihydroxybenzoic_acid

> <PUBMED_CITATION>
17065237; 24171385; 3575393

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