DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:05 UTC
Update Date	2025-03-21 18:01:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00033908
Frequency	106.6
Structure
Chemical Formula	C₁₄H₁₇NO₇
Molecular Mass	311.1005
SMILES	O=C(CCC(O)C(=O)O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	SPJYOEJOWRYYAD-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 homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids alpha hydroxy acids and derivatives amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid alpha-hydroxy acid fatty amide 1-hydroxy-2-unsubstituted benzenoid monosaccharide saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol tyrosine or derivatives n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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