DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:55 UTC
Update Date	2025-03-25 00:56:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219653
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₅NO₈
Molecular Mass	395.158
SMILES	COc1cc2c(cc1OC1OC(C(=O)O)C(O)C(O)C1O)C1CCN(C)C1C2
InChI Key	SKSKNTRMWUIJIH-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 heteropolycyclic compounds
Alternative Parents	acetals alkyl aryl ethers alkyl glycosides amino acids anisoles azacyclic compounds benzazocines beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives hydrocarbon derivatives indanes monocarboxylic acids and derivatives monosaccharides n-alkylpyrrolidines o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols trialkylamines
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether carbonyl group ether carboxylic acid glucuronic acid or derivatives amino acid or derivatives amino acid o-glucuronide monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound oxane pyrrolidine tertiary amine organoheterocyclic compound alcohol pyran carboxylic acid or derivatives azacycle n-alkylpyrrolidine tertiary aliphatic amine hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole benzazocine indane secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound alkyl glycoside

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