DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:21 UTC
Update Date	2025-03-25 01:01:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252482
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₈N₂O₁₂
Molecular Mass	488.1642
SMILES	NC(CCC(=O)NC(COC1OC(C(=O)O)C(O)C(O)C1O)Cc1ccc(O)c(O)c1)C(=O)O
InChI Key	AWWQWUJBVVPVEO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl glycosides alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines monosaccharides n-acyl amines o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl glycoside of mono- or disaccharide monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives glutamine or derivatives aromatic heteromonocyclic compound fatty amide o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound amphetamine or derivatives alcohol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound alkyl glycoside

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