DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:54 UTC
Update Date	2025-03-25 00:56:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219637
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₂O₄
Molecular Mass	278.1267
SMILES	COc1cc(N2CCN(C(C)=O)CC2)ccc1C(=O)O
InChI Key	JPWCXLYKFIKVPV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	diazinanes
Subclass	piperazines
Direct Parent	phenylpiperazines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds acetamides alkyl aryl ethers amino acids aminobenzoic acids and derivatives aminophenyl ethers aniline and substituted anilines anisoles azacyclic compounds benzoic acids benzoyl derivatives carbonyl compounds dialkylarylamines hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives n-arylpiperazines o-methoxybenzoic acids and derivatives organic oxides organopnictogen compounds phenoxy compounds tertiary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl alkyl aryl ether carboxylic acid derivative organic oxide tertiary aliphatic/aromatic amine o-methoxybenzoic acid or derivatives tertiary carboxylic acid amide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid dialkylarylamine aminophenyl ether aminobenzoic acid or derivatives tertiary amine acetamide azacycle aniline or substituted anilines benzoic acid or derivatives carboxamide group methoxybenzene phenylpiperazine monocarboxylic acid or derivatives organic oxygen compound anisole hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine n-arylpiperazine organooxygen compound

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