DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:19 UTC
Update Date	2025-03-25 00:49:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176962
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₅NO₁₀
Molecular Mass	461.2261
SMILES	CCCCCCCCCC=CC(O)C(=O)NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	DSQDFRGLHFYTOV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	acyl glycines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alkyl glycosides alpha amino acids alpha-amino acyl ester of carbohydrates beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives hydrocarbon derivatives monosaccharides n-acyl amines o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carbonyl group carboxylic acid glucuronic acid or derivatives o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives fatty acyl glycoside alpha-amino acid ester hydroxy acid carboxamide group n-acyl-amine n-acylglycine oxacycle secondary carboxylic acid amide organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound alkyl glycoside

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