DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:01 UTC
Update Date	2025-03-25 00:59:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240139
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₈N₂O₁₁
Molecular Mass	412.1693
SMILES	NC(CCCCNC1(C(=O)O)OC(C(O)C(O)CO)C(O)C(O)C1O)C(=O)O
InChI Key	FPDDWCGSCCHCNT-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 amino acids amino acids amino fatty acids aminosaccharides beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives glucuronic acid derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid medium-chain hydroxy acid beta-hydroxy acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid oxane primary alcohol organoheterocyclic compound c-glucuronide alcohol amino saccharide secondary aliphatic amine pyran carboxylic acid or derivatives hydroxy acid secondary amine amino fatty acid oxacycle pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine

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