DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:52 UTC
Update Date	2025-03-25 00:57:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226320
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₆N₂O₄
Molecular Mass	264.111
SMILES	CC(O)C(N=C(Cc1ccccc1)C(N)=O)C(=O)O
InChI Key	PKDXGUSEUPVENI-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 acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds secondary alcohols secondary ketimines
Substituents	primary carboxylic acid amide fatty acyl ketimine monocyclic benzene moiety carbonyl group carboxylic acid imine fatty amide propargyl-type 1,3-dipolar organic compound secondary ketimine beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alcohol organic 1,3-dipolar compound hydroxy acid carboxamide group aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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