DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:48 UTC
Update Date	2025-03-21 18:05:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00059325
Frequency	53.0
Structure
Chemical Formula	C₁₇H₂₂N₂O₁₀
Molecular Mass	414.1274
SMILES	NC(Cc1ccc(O)cc1)C(=O)NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	VMAZFPNWMXSNBE-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 acyl glycines alpha amino acid amides alpha amino acids alpha-amino acyl ester of carbohydrates amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty amides glucuronic acid derivatives hydrocarbon derivatives monoalkylamines monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenylalanine and derivatives pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tyrosine and derivatives
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 tyrosine or derivatives alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid n-acylglycine secondary carboxylic acid amide carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative primary aliphatic amine fatty acyl carbonyl group glucuronic acid or derivatives aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid organic oxide organopnictogen compound amphetamine or derivatives pyran carboxylic acid or derivatives hydroxy acid carboxamide group oxacycle phenylalanine or derivatives organic oxygen compound pyran alpha-amino acyl ester of carbohydrate secondary alcohol benzenoid organic nitrogen compound organooxygen compound

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