DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:54 UTC
Update Date	2025-03-21 18:29:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00078789
Frequency	37.1
Structure
Chemical Formula	C₁₅H₁₇NO₁₀
Molecular Mass	371.0852
SMILES	CC(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(=O)O)c1
InChI Key	OFHTUORMPMBBRW-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-carboxy-2-haloaromatic compounds acetals acetamides acetanilides acylaminobenzoic acid and derivatives benzoic acids benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon 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	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid n-acetylarylamine aromatic heteromonocyclic compound benzoyl o-glucuronide monosaccharide n-arylamide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid oxane organoheterocyclic compound acetamide alcohol 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 secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound

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