DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:01 UTC
Update Date	2025-03-25 00:54:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205841
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₉NO₈
Molecular Mass	329.1111
SMILES	NC(C(=O)OC1OC(C(O)O)C(O)C(O)C1O)c1ccccc1
InChI Key	CBDQYAOKYBJKDV-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	alpha-amino acyl ester of carbohydrates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acids benzene and substituted derivatives carbonyl compounds carbonyl hydrates carboxylic acid esters hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes secondary alcohols
Substituents	monocyclic benzene moiety carbonyl group carbonyl hydrate aromatic heteromonocyclic compound monosaccharide saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound alcohol oxacycle monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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