Summary

IMPPAT Phytochemical identifier: IMPHY011546

Phytochemical name: 2,3-Dihydroxybenzoic acid

Synonymous chemical names:
2,3-dihydroxybenzoic acid, dihydroxybenzoic acid, o-pyrocatechuic acid, pyrocatechuic acid

External chemical identifiers:
CID:19, ChEMBL:CHEMBL1432, ChEBI:18026, ZINC:ZINC000000388166, FDASRS:70D5FBB392, SureChEMBL:SCHEMBL37458, MolPort-001-756-832

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Chemical structure information

SMILES:
OC(=O)c1cccc(c1O)O

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

DeepSMILES:
OC=O)cccccc6O))O

Functional groups:
cC(=O)O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Simple phenolic acids

NP-Likeness score: 0.55

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Chemical structure download