DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:30 UTC
Update Date	2025-03-25 00:50:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179657
Frequency	0.5
Structure
Chemical Formula	C₂₇H₂₉NO₁₀
Molecular Mass	527.1791
SMILES	COc1ccc(CC2COC(=O)C2Cc2c[nH]c3ccccc23)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	TUWVDJLIFLDFHZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetals alkyl aryl ethers anisoles azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives gamma butyrolactones glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives indoles methoxybenzenes monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids pyrroles secondary alcohols tetrahydrofurans
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid indole o-glucuronide monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid lactone 1-o-glucuronide beta-hydroxy acid organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives azacycle tetrahydrofuran heteroaromatic compound indole or derivatives hydroxy acid methoxybenzene gamma butyrolactone oxacycle pyran anisole carboxylic acid ester pyrrole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound

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