DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:42 UTC
Update Date	2025-03-21 18:40:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00128739
Frequency	19.8
Structure
Chemical Formula	C₁₄H₁₅NO₁₀
Molecular Mass	357.0696
SMILES	O=CNc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1C(=O)O
InChI Key	CQXHFOQQSRKCQI-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 acylaminobenzoic acid and derivatives anilides benzoic acids benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides n-arylamides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols secondary carboxylic acid amides vinylogous amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid 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 alcohol vinylogous amide acylaminobenzoic acid or derivatives pyran carboxylic acid or derivatives 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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