DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:52 UTC
Update Date	2025-03-21 18:02:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00040578
Frequency	85.1
Structure
Chemical Formula	C₈H₁₃NO₇
Molecular Mass	235.0692
SMILES	NC1C(O)CC(O)(C(=O)O)OC1CC(=O)O
InChI Key	SOAGCELTHKWCPS-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 carbonyl compounds carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives gamma amino acids and derivatives hemiacetals hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	carbonyl group carboxylic acid gamma amino acid or derivatives alpha-hydroxy acid carboxylic acid derivative pyran carboxylic acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal delta amino acid or derivatives oxane 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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