DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:06 UTC
Update Date	2025-03-25 00:49:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171838
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₆N₂O₄
Molecular Mass	252.111
SMILES	CN(C)CC(=O)Nc1ccccc1OCC(=O)O
InChI Key	YUZNOXPBUCCXEE-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	alpha amino acid amides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers alpha amino acids amino acids anilides carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds phenol ethers phenoxy compounds phenoxyacetic acid derivatives secondary carboxylic acid amides trialkylamines
Substituents	phenol ether monocyclic benzene moiety phenoxyacetate carbonyl group ether carboxylic acid amino acid n-arylamide alkyl aryl ether organic oxide organonitrogen compound alpha-amino acid organopnictogen compound tertiary amine alpha-amino acid amide tertiary aliphatic amine 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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