DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:00 UTC
Update Date	2025-03-25 00:49:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176228
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₆O₁₂
Molecular Mass	410.1424
SMILES	CC1(C)OC2CC(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)C(O)C(O)C2O1
InChI Key	BRKUWUGOVLMTOU-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 heteropolycyclic compounds
Alternative Parents	1,3-dioxolanes beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclic alcohols and derivatives glucuronic acid derivatives hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	meta-dioxolane carbonyl group carboxylic acid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide aliphatic heteropolycyclic compound beta-hydroxy acid organic oxide acetal ketal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid cyclic alcohol oxacycle monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative

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