Summary

IMPPAT Phytochemical identifier: IMPHY017892

Phytochemical name: 2,6-Dihydroxybenzoic acid

Synonymous chemical names:
2,6-dihydroxy benzoic acid

External chemical identifiers:
CID:9338, ChEMBL:CHEMBL454808, ChEBI:68465, ZINC:ZINC000000388545, FDASRS:RSA5G6VRPV, SureChEMBL:SCHEMBL224031, MolPort-001-756-368

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Chemical structure information

SMILES:
OC(=O)c1c(O)cccc1O

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

InChIKey:
AKEUNCKRJATALU-UHFFFAOYSA-N

DeepSMILES:
OC=O)ccO)cccc6O

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: 0.622

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Chemical structure download