DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:22 UTC
Update Date	2025-03-25 00:47:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02163277
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₂N₂O₈
Molecular Mass	324.0594
SMILES	O=C(O)C1=CC(=C2C=C(C(=O)O)NC2C(=O)O)CC(C(=O)O)N1
InChI Key	WHVKJLPFSABCKM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	tetracarboxylic acids and derivatives
Direct Parent	tetracarboxylic acids and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives organic oxides organopnictogen compounds pyrroline 2-carboxylic acids tetrahydropyridines
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid alpha-amino acid or derivatives organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound secondary aliphatic amine azacycle pyrroline carboxylic acid or derivatives tetrahydropyridine tetracarboxylic acid or derivatives secondary amine pyrroline 2-carboxylic acid organic oxygen compound pyrroline pyrroline carboxylic acid hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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