DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:51 UTC
Update Date	2025-03-21 18:37:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00117256
Frequency	22.4
Structure
Chemical Formula	C₂₄H₂₉NO₉
Molecular Mass	475.1842
SMILES	COc1ccc2c3c1OC1C(OC4OC(C(=O)O)C(O)C(O)C4O)C=CC3C13CCN(C)C3C2
InChI Key	BPSBNRQZGCUZQS-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	1-benzopyrans acetals alkyl aryl ethers amino acids anisoles azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives hydrocarbon derivatives indoles 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 1-benzopyran amino acid or derivatives o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal organonitrogen compound oxane organoheterocyclic compound alcohol phenanthrene benzopyran azacycle tertiary aliphatic amine anisole hydrocarbon derivative amine tetralin carbonyl group ether glucuronic acid or derivatives amino acid indole alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound organopnictogen compound chromane pyrrolidine tertiary amine pyran carboxylic acid or derivatives n-alkylpyrrolidine indole or derivatives hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol organic nitrogen compound organooxygen compound

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