DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-21 00:00:32 UTC
Update Date	2025-03-21 18:06:29 UTC
HMDB ID	HMDB0125619
Metabolite Identification
DeepMet ID	DMID00063388
Name	3,4,5-trihydroxy-6-{[4-hydroxy-2,5-bis(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl]oxy}oxane-2-carboxylic acid
Frequency	48.7
Structure
Chemical Formula	C₁₈H₃₀O₁₇
Molecular Mass	518.1483
SMILES	O=C(O)C1OC(OC2C(O)C(CO)OC2(CO)OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChI Key	VVCQQGBFWIZBAO-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	beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal ketal aliphatic heteromonocyclic compound oxane primary alcohol organoheterocyclic compound alcohol pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid oxacycle monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative

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