DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:51 UTC
Update Date	2025-03-21 18:04:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00047811
Frequency	78.9
Structure
Chemical Formula	C₁₁H₁₃NO₄
Molecular Mass	223.0845
SMILES	O=C(O)CCCNC(=O)c1ccccc1O
InChI Key	BEBMULDZYYEWRH-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids benzamides benzoyl derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds salicylamides secondary carboxylic acid amides vinylogous acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives benzoyl 1-hydroxy-2-unsubstituted benzenoid benzamide organic oxide organonitrogen compound organopnictogen compound benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group salicylamide aromatic homomonocyclic compound secondary carboxylic acid amide vinylogous acid monocarboxylic acid or derivatives organic oxygen compound salicylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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