DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:53 UTC
Update Date	2025-03-25 00:59:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239834
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₉NO₁₀
Molecular Mass	325.1009
SMILES	NC1C(O)CC(O)(C(=O)O)OC1C(C(=O)O)C(O)C(O)CO
InChI Key	PJSBQUZEORFHQW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	c-glucuronides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha hydroxy acids and derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives gamma amino acids and derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid gamma amino acid or derivatives alpha-hydroxy acid fatty acid carboxylic acid derivative pyran carboxylic acid beta-hydroxy acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal delta amino acid or derivatives hydroxy fatty acid oxane primary alcohol organoheterocyclic compound c-glucuronide alcohol pyran carboxylic acid or derivatives hydroxy acid oxacycle pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound

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