DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:10 UTC
Update Date	2025-03-21 18:41:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136718
Frequency	18.3
Structure
Chemical Formula	C₁₂H₁₄N₂O₄
Molecular Mass	250.0954
SMILES	O=C(O)c1cc(NC(=O)C2CCCN2)ccc1O
InChI Key	LZLIZAYFQNADSY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	acylaminobenzoic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids anilides azacyclic compounds benzoic acids benzoyl derivatives carbonyl compounds dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides salicylic acids secondary carboxylic acid amides vinylogous acids
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid n-arylamide alpha-amino acid or derivatives salicylic acid carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid pyrrolidine organoheterocyclic compound proline or derivatives secondary aliphatic amine acylaminobenzoic acid or derivatives alpha-amino acid amide azacycle secondary amine carboxamide group hydroxybenzoic acid anilide secondary carboxylic acid amide vinylogous acid monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound salicylic acid or derivatives phenol hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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