DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:53 UTC
Update Date	2025-03-21 18:00:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00026377
Frequency	145.2
Structure
Chemical Formula	C₁₈H₂₄N₂O₈
Molecular Mass	396.1533
SMILES	CC(=O)N1CCN(c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2)CC1
InChI Key	YOFUHNACRPYENI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals acetamides amino acids aniline and substituted anilines azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylarylamines glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-arylpiperazines organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds phenylpiperazines pyran carboxylic acids secondary alcohols tertiary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal piperazine tertiary aliphatic/aromatic amine tertiary carboxylic acid amide organonitrogen compound organopnictogen compound oxane dialkylarylamine tertiary amine organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives azacycle aniline or substituted anilines hydroxy acid carboxamide group phenylpiperazine oxacycle monocarboxylic acid or derivatives pyran 1,4-diazinane secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine n-arylpiperazine

Showing information for DMID00026377