DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:02:59 UTC
Update Date	2025-03-21 18:07:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00069306
Frequency	43.6
Structure
Chemical Formula	C₁₀H₁₆O₉
Molecular Mass	280.0794
SMILES	CC(OC1OC(C(=O)O)C(O)C(O)C1O)C(O)C=O
InChI Key	QWPKFMXQMSGTSD-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	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alpha-hydroxyaldehydes beta hydroxy acids and derivatives carboxylic acids glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	carbonyl group carboxylic acid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives aldehyde hydroxy acid oxacycle monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative

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