DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:26 UTC
Update Date	2025-03-25 00:47:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161164
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₄N₂O₈
Molecular Mass	384.1533
SMILES	NC(Cc1ccc(O)cc1)C(=O)NCC(=O)OC1CC(O)C(O)C(O)C1O
InChI Key	HRTFSSBNNZBETR-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	peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acyl glycines alpha amino acid amides alpha amino acid esters alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acid esters cyclitols and derivatives cyclohexanols fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol tyrosine or derivatives alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid cyclohexanol cyclitol or derivatives cyclic alcohol carboxamide group n-acylglycine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester secondary alcohol phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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