DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:23 UTC
Update Date	2025-03-25 00:51:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186229
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₂ClNO₃
Molecular Mass	229.0506
SMILES	NCCC(Oc1ccc(Cl)cc1)C(=O)O
InChI Key	AYUGIQGFXUHOAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	gamma amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers aryl chlorides carbonyl compounds carboxylic acids chlorobenzenes hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organochlorides organonitrogen compounds organopnictogen compounds phenol ethers phenoxy compounds phenoxyacetic acid derivatives
Substituents	phenol ether monocyclic benzene moiety phenoxyacetate carbonyl group ether carboxylic acid gamma amino acid or derivatives organochloride alkyl aryl ether organohalogen compound organic oxide organonitrogen compound organopnictogen compound aryl chloride chlorobenzene aryl halide aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound halobenzene phenoxy compound organooxygen compound

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