DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:01 UTC
Update Date	2025-03-25 00:50:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180832
Frequency	0.5
Structure
Chemical Formula	C₃₀H₃₀N₄O₁₁
Molecular Mass	622.1911
SMILES	O=C(O)CCC(NC(=O)c1ccc(Nc2ccc(CC(N=CC=C3C=C(C(=O)O)NC(C(=O)O)C3)C(=O)O)cc2)cc1)C(=O)O
InChI Key	RMUOWQDPVXRSCO-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	aldimines alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylamines glutamic acid and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds pentacarboxylic acids and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides tetrahydropyridines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid imine benzoyl benzamide propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine azacycle n-acyl-alpha-amino acid hippuric acid or derivatives tetrahydropyridine benzoic acid or derivatives organic 1,3-dipolar compound glutamic acid or derivatives secondary amine carboxamide group pentacarboxylic acid or derivatives secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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