DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:29 UTC
Update Date	2025-03-21 18:33:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00096799
Frequency	28.5
Structure
Chemical Formula	C₇H₆ClNO₂
Molecular Mass	171.0087
SMILES	Nc1cc(Cl)ccc1C(=O)O
InChI Key	JYYLQSCZISREGY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	halobenzoic acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 4-halobenzoic acids amino acids aryl chlorides benzoic acids benzoyl derivatives chlorobenzenes hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organochlorides organooxygen compounds organopnictogen compounds primary amines vinylogous amides
Substituents	carboxylic acid amino acid or derivatives amino acid organochloride benzoyl carboxylic acid derivative organohalogen compound organic oxide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid aryl chloride chlorobenzene vinylogous amide halobenzoic acid 4-halobenzoic acid aryl halide 4-halobenzoic acid or derivatives aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound halobenzene amine organooxygen compound

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