DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:18 UTC
Update Date	2025-03-21 18:06:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00065235
Frequency	47.0
Structure
Chemical Formula	C₁₈H₁₉N₃O₆
Molecular Mass	373.1274
SMILES	NC(=O)C1CC(=CC=NC(Cc2ccc(O)cc2)C(=O)O)C=C(C(=O)O)N1
InChI Key	JYYKAMXOXMAXHP-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	tyrosine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids aldimines alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds tetrahydropyridines
Substituents	primary carboxylic acid amide monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid imine 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives secondary aliphatic amine tyrosine or derivatives alpha-amino acid amide azacycle tetrahydropyridine organic 1,3-dipolar compound secondary amine carboxamide group phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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