DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:14 UTC
Update Date	2025-03-25 00:49:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02172106
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₆ClNO₈
Molecular Mass	479.1347
SMILES	CN1CCC23c4c5ccc(Cl)c4OC2C(OC2OC(C(=O)O)C(O)C(O)C2O)C=CC3C1C5
InChI Key	QEWNKVNHSCYCIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	alkaloids and derivatives
Class	morphinans
Subclass	morphinans
Direct Parent	morphinans
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetals alkyl aryl ethers amino acids aryl chlorides azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids coumarans glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides organochlorides organopnictogen compounds oxacyclic compounds oxanes phenanthrenes and derivatives piperidines pyran carboxylic acids secondary alcohols tetralins trialkylamines
Substituents	tetralin carbonyl group ether carboxylic acid glucuronic acid or derivatives amino acid or derivatives amino acid organochloride o-glucuronide monosaccharide alkyl aryl ether carboxylic acid derivative organohalogen compound pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound oxane piperidine tertiary amine organoheterocyclic compound coumaran aryl chloride alcohol phenanthrene pyran carboxylic acid or derivatives azacycle tertiary aliphatic amine hydroxy acid aryl halide oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound morphinan amine organooxygen compound

Showing information for DMID02172106