DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:27 UTC
Update Date	2025-03-25 00:47:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161168
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₇NO₉
Molecular Mass	343.0903
SMILES	NC(Cc1ccc(O)c(O)c1)C(=O)OC1OC(C(=O)O)C(O)C1O
InChI Key	WPBWHQPQGOJMLL-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	1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters hydrocarbon derivatives monoalkylamines monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds phenylalanine and derivatives secondary alcohols tetrahydrofurans tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid monosaccharide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives 1,2-diol alcohol tyrosine or derivatives tetrahydrofuran hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle fatty acid ester phenylalanine or derivatives organic oxygen compound carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02161168