DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:36 UTC
Update Date	2025-03-25 00:53:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202600
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₅NO₆
Molecular Mass	293.0899
SMILES	O=C(OCC(=O)N1CCCC1C(=O)O)c1ccccc1O
InChI Key	IRMKPSAXSVXXQA-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids salicylic acid and derivatives tertiary carboxylic acid amides vinylogous acids o-hydroxybenzoic acid esters
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound n-acylpyrrolidine benzoyl 1-hydroxy-2-unsubstituted benzenoid benzoate ester organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound proline or derivatives azacycle n-acyl-alpha-amino acid benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group vinylogous acid pyrrolidine carboxylic acid or derivatives organic oxygen compound salicylic acid or derivatives o-hydroxybenzoic acid ester carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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