DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:46 UTC
Update Date	2025-03-21 18:28:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00071145
Frequency	42.2
Structure
Chemical Formula	C₁₆H₂₀N₂O₁₀
Molecular Mass	400.1118
SMILES	NC(CC(=O)Nc1ccccc1OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChI Key	LRGDUVUFHRKBIU-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	asparagine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acids anilides beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty amides glucuronic acid derivatives hydrocarbon derivatives monoalkylamines monosaccharides n-arylamides o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound fatty amide o-glucuronide monosaccharide n-arylamide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid carboxamide group anilide oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound

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