DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:31 UTC
Update Date	2025-03-25 00:50:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179692
Frequency	0.5
Structure
Chemical Formula	C₂₄H₂₇N₃O₆
Molecular Mass	453.19
SMILES	COc1ccc2[nH]cc(CCN(C)c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c1
InChI Key	UMYMSNWQXNMXFG-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 heteropolycyclic compounds
Alternative Parents	alkaloids and derivatives alkyl aryl ethers alpha amino acids amino acids aminobenzamides aniline and substituted anilines anisoles azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives indoles n-acyl-alpha amino acids organic oxides organopnictogen compounds pyrroles secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid amino acid indole benzoyl alkyl aryl ether benzamide organic oxide aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine aminobenzoic acid or derivatives tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines heteroaromatic compound indole or derivatives benzoic acid or derivatives glutamic acid or derivatives carboxamide group aminobenzamide secondary carboxylic acid amide alkaloid or derivatives organic oxygen compound anisole pyrrole dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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