DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:01 UTC
Update Date	2025-03-21 18:03:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00045788
Frequency	73.4
Structure
Chemical Formula	C₁₁H₁₄N₂O₃
Molecular Mass	222.1004
SMILES	Nc1ccccc1C(=O)CC(N)CC(=O)O
InChI Key	LPMIADQWYGIATP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	amino acids amino fatty acids aryl alkyl ketones benzoyl derivatives beta amino acids and derivatives butyrophenones carbocyclic fatty acids carboxylic acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds vinylogous amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid benzoyl fatty acid carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid vinylogous amide amino fatty acid beta amino acid or derivatives butyrophenone aromatic homomonocyclic compound monocarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone

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