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- ChemComp-DBH: 2,3-DIHYDROXY-BENZOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: DBH
NameName: 2,3-dihydroxy-benzoic acid

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Chemical information

Composition
Formula: C7H6O4 / Number of atoms: 17 / Formula weight: 154.12 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: DBH
History
Create componentMar 20, 2002
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)c1cccc(O)c1O
CACTVS 3.341OC(=O)c1cccc(O)c1O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)c1cccc(O)c1O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)

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InChIKey

InChI 1.03GLDQAMYCGOIJDV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042,3-dihydroxybenzoic acid
OpenEye OEToolkits 1.5.02,3-dihydroxybenzoic acid

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PDB entries

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