DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:04 UTC
Update Date	2025-03-21 18:29:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00079183
Frequency	36.9
Structure
Chemical Formula	C₁₀H₁₂NO₅+
Molecular Mass	226.071
SMILES	C[N+](=O)C(Cc1ccc(O)c(O)c1)C(=O)O
InChI Key	GBWRACIOQZGGEV-UHFFFAOYSA-O
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 aminoxides amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic oxoazanium compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic oxoazanium amphetamine or derivatives tyrosine or derivatives 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound aminoxide phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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