DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:11:14 UTC
Update Date	2025-03-21 18:32:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00088930
Frequency	31.8
Structure
Chemical Formula	C₁₃H₁₇ClN₂O₃
Molecular Mass	284.0928
SMILES	CCN(CC)CC(=O)Nc1ccc(Cl)cc1C(=O)O
InChI Key	PITPFESEYYIGQD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	acylaminobenzoic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 3-halobenzoic acids alpha amino acid amides alpha amino acids amino acids anilides aryl chlorides benzoic acids benzoyl derivatives carbonyl compounds chlorobenzenes halobenzoic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-arylamides organic oxides organochlorides organopnictogen compounds secondary carboxylic acid amides trialkylamines vinylogous amides
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid 3-halobenzoic acid or derivatives organochloride benzoyl n-arylamide alpha-amino acid or derivatives carboxylic acid derivative organohalogen compound organic oxide 3-halobenzoic acid organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid tertiary amine aryl chloride chlorobenzene vinylogous amide halobenzoic acid acylaminobenzoic acid or derivatives alpha-amino acid amide tertiary aliphatic amine halobenzoic acid or derivatives carboxamide group aryl halide aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound halobenzene amine organooxygen compound

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