Summary

IMPPAT Phytochemical identifier: IMPHY005299

Phytochemical name: 2-Amino-5-hydroxybenzoic acid

Synonymous chemical names:
5-hydroxyanthranilic acid

External chemical identifiers:
CID:164592, ZINC:ZINC000002166823, FDASRS:UF9WW3I410, SureChEMBL:SCHEMBL258366, MolPort-001-759-315

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Chemical structure information

SMILES:
Oc1ccc(c(c1)C(=O)O)N

InChI:
InChI=1S/C7H7NO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11)

InChIKey:
HYNQTSZBTIOFKH-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)C=O)O)))N

Functional groups:
cC(=O)O, cN, 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: 0.469

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Chemical structure download