DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:50 UTC
Update Date	2025-03-25 00:54:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207708
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₉NO₁₂
Molecular Mass	475.169
SMILES	O=C(CCC(O)Cc1ccc(O)c(O)c1)NC(COC1OC(CO)C(O)C(O)C1O)C(=O)O
InChI Key	FXECCIPENQAQEM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alpha amino acids benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl glycoside of mono- or disaccharide monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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