DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:03 UTC
Update Date	2025-03-25 00:49:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176311
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₅NO₁₀
Molecular Mass	463.1478
SMILES	NC(Cc1ccc(Oc2ccc(COC3OC(C(=O)O)C(O)C(O)C3O)cc2)cc1)C(=O)O
InChI Key	HOAMOKSGMBTAMQ-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acids amphetamines and derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids diarylethers dicarboxylic acids and derivatives diphenylethers glucuronic acid derivatives hydrocarbon derivatives monoalkylamines monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds phenylpropanoic acids pyran carboxylic acids secondary alcohols
Substituents	diaryl ether phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound 3-phenylpropanoic-acid o-glucuronide monosaccharide 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 oxacycle phenylalanine or derivatives organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound diphenylether organooxygen compound

Showing information for DMID02176311