DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:41 UTC
Update Date	2025-03-25 00:59:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234882
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₆N₂O₅
Molecular Mass	268.1059
SMILES	CNC(Cc1ccc(O)c(O)c1)C(=O)NCC(=O)O
InChI Key	RBETYDQJUWFPJC-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	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dipeptides fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives secondary aliphatic amine tyrosine or derivatives alpha-amino acid amide 1-hydroxy-4-unsubstituted benzenoid secondary amine carboxamide group n-acylglycine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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