DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:12:59 UTC
Update Date	2025-03-21 18:32:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00093192
Frequency	30.0
Structure
Chemical Formula	C₂₂H₂₇NO₁₀
Molecular Mass	465.1635
SMILES	COc1ccc2c3c1OC1C(OC4OC(C(=O)O)C(O)C(O)C4O)OC4C(C2)N(C)CCC314
InChI Key	FZBGKADRCXGACD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	alkaloids and derivatives
Class	oxamorphinans
Subclass	oxamorphinans
Direct Parent	oxamorphinans
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetals alkyl aryl ethers amino acids anisoles azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids coumarans furofurans glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides morphinans naphthofurans o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes piperidines pyran carboxylic acids secondary alcohols tetrahydrofurans tetralins trialkylamines
Substituents	phenol ether carboxylic acid amino acid or derivatives o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal organonitrogen compound oxane organoheterocyclic compound coumaran alcohol azacycle tertiary aliphatic amine anisole hydrocarbon derivative morphinan amine tetralin carbonyl group ether glucuronic acid or derivatives amino acid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound furofuran organopnictogen compound piperidine tertiary amine pyran carboxylic acid or derivatives naphthofuran tetrahydrofuran oxamorphinan hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol benzenoid organic nitrogen compound organooxygen compound

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