DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:10 UTC
Update Date	2025-03-25 00:56:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220280
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₅N₃O₄
Molecular Mass	335.1845
SMILES	COc1ccccc1N1CCN(CCC(NC(C)=O)C(=O)O)CC1
InChI Key	AQFJCTNKAOAORY-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl aryl ethers alpha amino acids amino acids amino fatty acids aminophenyl ethers aniline and substituted anilines anisoles azacyclic compounds carbonyl compounds carboxylic acids dialkylarylamines fatty acyls hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives n-alkylpiperazines n-arylpiperazines organic oxides organopnictogen compounds phenoxy compounds phenylpiperazines secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound amino acid alkyl aryl ether organic oxide piperazine tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine aminophenyl ether tertiary amine organoheterocyclic compound acetamide azacycle n-acyl-alpha-amino acid aniline or substituted anilines n-alkylpiperazine tertiary aliphatic amine amino fatty acid carboxamide group methoxybenzene phenylpiperazine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound anisole 1,4-diazinane hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine n-arylpiperazine organooxygen compound

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