DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:28 UTC
Update Date	2025-03-25 01:01:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252745
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₆N₂O₁₁
Molecular Mass	470.1537
SMILES	NC(Cc1ccc(O)cc1)C(=O)N1CC(O)CC1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	YKPLRADUFIJRCM-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 heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetals alpha amino acid amides alpha amino acids alpha-amino acyl ester of carbohydrates amphetamines and derivatives azacyclic compounds benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monoalkylamines monosaccharides n-acyl-alpha amino acids n-acylpyrrolidines o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes proline and derivatives pyran carboxylic acids pyrrolidine carboxylic acids secondary alcohols tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carboxylic acid o-glucuronide monosaccharide alpha-amino acid or derivatives pyran carboxylic acid alpha peptide 1-o-glucuronide beta-hydroxy acid saccharide acetal organonitrogen compound alpha-amino acid oxane organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide alpha-amino acid ester azacycle n-acyl-alpha-amino acid pyrrolidine carboxylic acid or derivatives carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative primary aliphatic amine carbonyl group glucuronic acid or derivatives aromatic heteromonocyclic compound n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide organopnictogen compound pyrrolidine amphetamine or derivatives proline or derivatives pyran carboxylic acid or derivatives hydroxy acid carboxamide group oxacycle organic oxygen compound pyran alpha-amino acyl ester of carbohydrate secondary alcohol benzenoid organic nitrogen compound organooxygen compound

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