DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:15 UTC
Update Date	2025-03-21 18:03:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00046379
Frequency	72.3
Structure
Chemical Formula	C₂₄H₂₉NO₉
Molecular Mass	475.1842
SMILES	COc1ccc2c3c1OC1C(OC4C(O)OC(C(=O)O)C(O)C4O)C=CC4C(C2)N(C)CCC341
InChI Key	XFXJLSBGXOZDKZ-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	1,2-diols alkyl aryl ethers amino acids anisoles azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids coumarans dialkyl ethers glucuronic acid derivatives hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides 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 monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid dialkyl ether beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane piperidine tertiary amine organoheterocyclic compound coumaran 1,2-diol alcohol phenanthrene pyran carboxylic acid or derivatives azacycle tertiary aliphatic amine hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound morphinan amine organooxygen compound

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