DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:45 UTC
Update Date	2025-03-25 00:48:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168747
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₈N₂O₇
Molecular Mass	396.1897
SMILES	CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(C(=O)O)C(C)O)C(=O)O
InChI Key	MRRRBGWDOVHXRE-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty amides hydrocarbon derivatives leucine and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives secondary alcohols secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives beta-hydroxy acid organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol secondary aliphatic amine tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid secondary amine carboxamide group n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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