DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:16 UTC
Update Date	2025-03-25 00:45:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149404
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₆N₂O₄
Molecular Mass	252.111
SMILES	Nc1ccccc1OCCCC(O)=NCC(=O)O
InChI Key	DMZUHSDFTGDOHY-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	alkyl aryl ethers amino acids carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenol ethers phenoxy compounds primary amines propargyl-type 1,3-dipolar organic compounds
Substituents	phenol ether carboximidic acid monocyclic benzene moiety carbonyl group ether carboxylic acid amino acid alkyl aryl ether propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic 1,3-dipolar compound aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound phenoxy compound amine organooxygen compound

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