DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:27 UTC
Update Date	2025-03-25 00:57:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225405
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₁NO₁₀
Molecular Mass	435.1165
SMILES	CC(=O)Nc1ccc(Oc2cc(O)ccc2OC2OC(C(=O)O)C(O)C(O)C2O)cc1
InChI Key	CACRGNJZDSOVKI-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 heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 4-alkoxyphenols acetals acetamides acetanilides beta hydroxy acids and derivatives carbonyl compounds carboxylic acids diarylethers diphenylethers glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-acetylarylamines organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	diaryl ether phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid n-acetylarylamine aromatic heteromonocyclic compound o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide n-arylamide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal organonitrogen compound organopnictogen compound oxane organoheterocyclic compound acetamide alcohol 4-alkoxyphenol pyran carboxylic acid or derivatives acetanilide hydroxy acid carboxamide group anilide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound diphenylether

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