DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:13 UTC
Update Date	2025-03-21 18:34:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00101033
Frequency	27.0
Structure
Chemical Formula	C₁₅H₂₀N₂O₄
Molecular Mass	292.1423
SMILES	COc1ccc(CC(NC(=O)C2CCCN2)C(=O)O)cc1
InChI Key	HTPCXGJBMADZLW-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	alkyl aryl ethers alpha amino acid amides alpha amino acids amino acids anisoles azacyclic compounds carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives methoxybenzenes methoxylated amphetamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenoxy compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid or derivatives amino acid alpha-amino acid or derivatives alkyl aryl ether organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine amphetamine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid methoxylated amphetamine secondary amine carboxamide group methoxybenzene alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound anisole hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide phenoxy compound organooxygen compound amine

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