DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:45 UTC
Update Date	2025-03-25 00:51:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189364
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₄N₂O₄
Molecular Mass	250.0954
SMILES	CC(CC(=O)c1cccc(O)c1N)=NCC(=O)O
InChI Key	DYSJKBUAHRFFNA-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds secondary ketimines vinylogous amides
Substituents	ketimine monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid imine benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound secondary ketimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid butyrophenone aromatic homomonocyclic compound monocarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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