DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:53 UTC
Update Date	2025-03-25 00:53:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203249
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₄Cl₂N₂O₆
Molecular Mass	494.1011
SMILES	O=C(O)CCC(NC(=O)c1ccc(NCC2CCC(c3ccc(Cl)c(Cl)c3)O2)cc1)C(=O)O
InChI Key	DVHZAFMDZYUIMU-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids aryl chlorides benzoyl derivatives carbonyl compounds carboxylic acids dialkyl ethers dicarboxylic acids and derivatives dichlorobenzenes hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organochlorides organopnictogen compounds oxacyclic compounds phenylalkylamines secondary alkylarylamines secondary carboxylic acid amides tetrahydrofurans
Substituents	monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound amino acid organochloride benzoyl organohalogen compound dialkyl ether benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1,2-dichlorobenzene organoheterocyclic compound n-acyl-alpha amino acid or derivatives aryl chloride chlorobenzene n-acyl-alpha-amino acid tetrahydrofuran hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine aryl halide oxacycle secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound halobenzene amine organooxygen compound

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