DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:42 UTC
Update Date	2025-03-21 18:06:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00063814
Frequency	48.3
Structure
Chemical Formula	C₁₄H₁₇ClN₂O₄
Molecular Mass	312.0877
SMILES	NC(Cc1ccc(O)c(Cl)c1)C(=O)N1CCCC1C(=O)O
InChI Key	GSVYBPBFQSBXOA-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives aryl chlorides azacyclic compounds carbonyl compounds carboxylic acids chlorobenzenes halophenols hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines o-chlorophenols organic oxides organochlorides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound organochloride n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organohalogen compound organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives aryl chloride 2-chlorophenol chlorobenzene proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group aryl halide alpha-dipeptide 2-halophenol monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound halobenzene organooxygen compound

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