DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:03 UTC
Update Date	2025-03-21 18:33:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00095713
Frequency	28.9
Structure
Chemical Formula	C₁₅H₂₁NO₉
Molecular Mass	359.1216
SMILES	NC(Cc1ccc(O)c(O)c1)C(=O)OC1OC(CO)C(O)C(O)C1O
InChI Key	GHXIOWDTHLVLKV-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acid esters fatty acid esters hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenylalanine and derivatives primary alcohols secondary alcohols tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid monosaccharide saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound amphetamine or derivatives alcohol tyrosine or derivatives 1-hydroxy-4-unsubstituted benzenoid oxacycle fatty acid ester monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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