DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:43:19 UTC
Update Date	2025-03-21 18:49:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00165295
Frequency	28.0
Structure
Chemical Formula	C₁₁H₁₁NO₇
Molecular Mass	269.0536
SMILES	O=C(O)C(O)=NC(Cc1ccc(O)c(O)c1)C(=O)O
InChI Key	GAABEFPVXQWZIP-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 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboximidic acids carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives tyrosine or derivatives organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID00165295