DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:39 UTC
Update Date	2025-03-25 00:51:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184521
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₈N₂O₅
Molecular Mass	282.1216
SMILES	NC(Cc1ccccc1)C(O)=NC(O)C(O)CC(=O)O
InChI Key	LAGDMIZNDJCORN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkanolamines amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboximidic acids carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound beta-hydroxy acid organic oxide organonitrogen compound organopnictogen compound amphetamine or derivatives alkanolamine alcohol organic 1,3-dipolar compound hydroxy acid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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