Summary

IMPPAT Phytochemical identifier: IMPHY006616

Phytochemical name: 2,4-Dihydroxyphenylacetic acid

Synonymous chemical names:
24-dihydroxyphenylacetic acid

External chemical identifiers:
CID:69199, ZINC:ZINC000001845974, FDASRS:LHB7I6AA5X, SureChEMBL:SCHEMBL156238, MolPort-006-112-075

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Chemical structure information

SMILES:
OC(=O)Cc1ccc(cc1O)O

InChI:
InChI=1S/C8H8O4/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4,9-10H,3H2,(H,11,12)

InChIKey:
FSQDURCMBCGCIK-UHFFFAOYSA-N

DeepSMILES:
OC=O)Ccccccc6O)))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: Phenylacetic acids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Simple phenolic acids

NP-Likeness score: 0.858

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Chemical structure download