DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:02 UTC
Update Date	2025-03-25 00:49:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171689
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃NO₉
Molecular Mass	373.1373
SMILES	CN(C(Cc1ccc(O)c(O)c1)C(=O)O)C1C(O)OC(CO)C(O)C1O
InChI Key	CUKZTRZCJBYKCB-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	tyrosine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-aminoalcohols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amino acids aminosaccharides amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenylalanine and derivatives phenylpropanoic acids primary alcohols secondary alcohols trialkylamines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid 1-hydroxy-2-unsubstituted benzenoid monosaccharide saccharide organic oxide alpha-amino acid organonitrogen compound organopnictogen compound hemiacetal oxane primary alcohol tertiary amine organoheterocyclic compound amphetamine or derivatives alcohol amino saccharide tyrosine or derivatives 1,2-aminoalcohol tertiary aliphatic amine 1-hydroxy-4-unsubstituted benzenoid oxacycle monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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