DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:35:16 UTC
Update Date	2025-03-21 17:56:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00004497
Frequency	1255.8
Structure
Chemical Formula	C₁₃H₁₃NO₇
Molecular Mass	295.0692
SMILES	O=C(O)CC(NC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O
InChI Key	YNHFZQQNJPOYRC-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	aspartic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxycinnamic acids n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 1-hydroxy-2-unsubstituted benzenoid hydroxycinnamic acid or derivatives cinnamic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group hydroxycinnamic acid aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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