DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:07 UTC
Update Date	2025-03-25 00:59:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02235882
Frequency	0.5
Structure
Chemical Formula	C₂₄H₃₃NO₈
Molecular Mass	463.2206
SMILES	COc1cc2c(cc1OC1OC(C(=O)O)C(O)C(O)C1O)CC1C3CCCCC23CCN1C
InChI Key	QJBCXYKCNDPJLG-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 alkyl glycosides amino acids anisoles azacyclic compounds benzazocines beta hydroxy acids and derivatives carbonyl compounds carboxylic acids fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenanthrenes and derivatives piperidines pyran carboxylic acids secondary alcohols tetralins trialkylamines
Substituents	tetralin 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 piperidine tertiary amine organoheterocyclic compound alcohol phenanthrene pyran carboxylic acid or derivatives azacycle tertiary aliphatic amine hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole benzazocine secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound morphinan amine organooxygen compound alkyl glycoside

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