DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:03 UTC
Update Date	2025-03-25 00:46:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02155952
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉N₂O₄+
Molecular Mass	267.1339
SMILES	C[N+](C)(C)CC(=O)Nc1ccccc1OCC(=O)O
InChI Key	BGYHSKPUFPLYJV-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acid amides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers alpha amino acids amines anilides carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-arylamides organic cations organic oxides organic salts organopnictogen compounds phenol ethers phenoxy compounds phenoxyacetic acid derivatives secondary carboxylic acid amides tetraalkylammonium salts
Substituents	phenol ether monocyclic benzene moiety phenoxyacetate carbonyl group ether carboxylic acid n-arylamide alkyl aryl ether organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine organooxygen compound

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