DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:35 UTC
Update Date	2025-03-25 00:51:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184343
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₆N₂O₁₀
Molecular Mass	454.1587
SMILES	NC(Cc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1)C(=O)N1CCCC1C(=O)O
InChI Key	KLJDZUGPURHJQK-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 heteromonocyclic compounds
Alternative Parents	acetals alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds 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 phenol ethers phenoxy compounds proline and derivatives pyran carboxylic acids pyrrolidine carboxylic acids secondary alcohols tertiary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carboxylic acid o-glucuronide monosaccharide alpha-amino acid or derivatives pyran carboxylic acid 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 azacycle n-acyl-alpha-amino acid alpha-dipeptide pyrrolidine carboxylic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine phenoxy compound carbonyl group glucuronic acid or derivatives aromatic heteromonocyclic compound n-acylpyrrolidine 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 secondary alcohol benzenoid organic nitrogen compound organooxygen compound

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