DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:15 UTC
Update Date	2025-03-25 00:54:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208717
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇NO₃
Molecular Mass	223.1208
SMILES	CC(C(=O)O)C(N)C(O)Cc1ccccc1
InChI Key	REGSXYCSLMSHKX-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	beta amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	amino fatty acids benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid fatty acid medium-chain hydroxy acid organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid alcohol methyl-branched fatty acid amino fatty acid branched fatty acid beta amino acid or derivatives aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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