DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:18:09 UTC
Update Date	2025-03-21 18:35:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00105794
Frequency	25.5
Structure
Chemical Formula	C₁₀H₁₁ClN₂O₄
Molecular Mass	258.0407
SMILES	NC(=O)NC(Cc1ccc(O)c(Cl)c1)C(=O)O
InChI Key	AIWMHKJFRCODGP-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives aryl chlorides carbonyl compounds carboxylic acids chlorobenzenes halophenols hydrocarbon derivatives monocarboxylic acids and derivatives n-carbamoyl-alpha amino acids o-chlorophenols organic carbonic acids and derivatives organic oxides organochlorides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid organochloride 1-hydroxy-2-unsubstituted benzenoid organohalogen compound organic oxide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives aryl chloride 2-chlorophenol chlorobenzene carbonic acid derivative tyrosine or derivatives n-carbamoyl-alpha-amino acid aryl halide aromatic homomonocyclic compound 2-halophenol monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound halobenzene organooxygen compound

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