DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:26 UTC
Update Date	2025-03-25 00:57:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225391
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₉NO₁₀
Molecular Mass	385.1009
SMILES	CC(=O)Nc1ccccc1C(=O)OCOC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	ZVGVMHPLCINZOJ-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	acetals acetamides acetanilides acylaminobenzoic acid and derivatives benzoic acid esters benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides n-acetylarylamines organic oxides organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid n-acetylarylamine aromatic heteromonocyclic compound benzoyl o-glucuronide monosaccharide n-arylamide benzoate ester carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal organonitrogen compound organopnictogen compound oxane organoheterocyclic compound acetamide alcohol vinylogous amide acylaminobenzoic acid or derivatives pyran carboxylic acid or derivatives acetanilide benzoic acid or derivatives hydroxy acid carboxamide group anilide oxacycle secondary carboxylic acid amide pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound

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