DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:07 UTC
Update Date	2025-03-25 00:57:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224720
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₆N₂O₅
Molecular Mass	280.1059
SMILES	Nc1ccc(CCC(O)=NC(CC(=O)O)C(=O)O)cc1
InChI Key	CZNILTGCSIKZKB-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	aspartic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzene and substituted derivatives carbonyl compounds carboximidic acids carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid amino acid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic 1,3-dipolar compound aromatic homomonocyclic compound organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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