DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:11 UTC
Update Date	2025-03-25 00:45:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149216
Frequency	0.5
Structure
Chemical Formula	C₂₅H₃₃NO₉
Molecular Mass	491.2155
SMILES	COc1ccc2c(c1)C13CCN(C)C(C2)C1C=CC(OC)C3OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	UQCFJUBRVCQBBJ-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 anisoles azacyclic compounds benzazocines beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers 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 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 dialkyl ether 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

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