DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:23 UTC
Update Date	2025-03-21 18:37:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00113688
Frequency	23.3
Structure
Chemical Formula	C₁₂H₁₅NO₅
Molecular Mass	253.095
SMILES	COC(=O)C(Cc1ccc(O)c(O)c1)NC(C)=O
InChI Key	COAGLKSEPCJRPJ-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 homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetamides alpha amino acid esters alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds fatty acid esters hydrocarbon derivatives methyl esters monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group 1-hydroxy-2-unsubstituted benzenoid organic oxide methyl ester organonitrogen compound alpha-amino acid organopnictogen compound acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid ester n-acyl-alpha-amino acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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