DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:08 UTC
Update Date	2025-03-25 00:55:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02213266
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇N₃O₃
Molecular Mass	263.127
SMILES	CN1CCN(c2ccc(C(N)=O)cc2C(=O)O)CC1
InChI Key	RILDIGQHKSGSJR-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 amino acids aminobenzamides aniline and substituted anilines azacyclic compounds benzamides benzoic acids benzoyl derivatives dialkylarylamines hydrocarbon derivatives monocarboxylic acids and derivatives n-arylpiperazines n-methylpiperazines organic oxides organooxygen compounds organopnictogen compounds primary carboxylic acid amides trialkylamines vinylogous amides
Substituents	primary carboxylic acid amide monocyclic benzene moiety carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl carboxylic acid derivative benzamide organic oxide tertiary aliphatic/aromatic amine organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid dialkylarylamine aminobenzoic acid or derivatives tertiary amine vinylogous amide azacycle aniline or substituted anilines n-alkylpiperazine tertiary aliphatic amine n-methylpiperazine benzoic acid or derivatives carboxamide group aminobenzamide phenylpiperazine monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound amine n-arylpiperazine organooxygen compound

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