DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:57 UTC
Update Date	2025-03-25 00:54:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203414
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₃NO₇
Molecular Mass	295.0692
SMILES	O=C(O)CC(NC(=Cc1ccccc1O)C(=O)O)C(=O)O
InChI Key	DXQBYUSJZLPZQB-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 amino acids benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives hydroxycinnamic acids organic oxides organopnictogen compounds tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives hydroxycinnamic acid or derivatives cinnamic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine 1-hydroxy-4-unsubstituted benzenoid secondary amine hydroxycinnamic acid aromatic homomonocyclic compound organic oxygen compound aspartic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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