DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:51 UTC
Update Date	2025-03-21 18:37:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00114823
Frequency	23.0
Structure
Chemical Formula	C₂₃H₂₇NO₉
Molecular Mass	461.1686
SMILES	COc1ccc2c3c1OC1C(OC4OC(C(=O)O)C(O)C(O)C4O)C=CC4C(C2)N(C)CC341
InChI Key	UCTYURDBBOVRGF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	phenanthrenes and derivatives
Subclass	phenanthrenes and derivatives
Direct Parent	phenanthrenes and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetals alkyl aryl ethers amino acids anisoles azacyclic compounds azepines benzazepines beta hydroxy acids and derivatives carbonyl compounds carboxylic acids coumarans glucuronic acid derivatives hydrocarbon derivatives isoindoles isoindolines monocarboxylic acids and derivatives monosaccharides n-alkylpyrrolidines o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols 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 phenanthrene azacycle tertiary aliphatic amine anisole hydrocarbon derivative benzazepine amine tetralin carbonyl group ether glucuronic acid or derivatives amino acid alkyl aryl ether carboxylic acid derivative organic oxide isoindoline aromatic heteropolycyclic compound organopnictogen compound pyrrolidine tertiary amine pyran carboxylic acid or derivatives n-alkylpyrrolidine isoindole hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound azepine pyran isoindole or derivatives secondary alcohol organic nitrogen compound organooxygen compound

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