DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:41 UTC
Update Date	2025-03-25 00:51:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189209
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₄N₄O₅
Molecular Mass	434.2529
SMILES	CC(C)CC(N)C(O)=NC(CC(C)C)C(O)=NC(CC(=O)c1ccccc1N)C(=O)O
InChI Key	RUFOEOKNZJRYKC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboximidic acids carboxylic acids gamma-keto acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds vinylogous amides
Substituents	carboximidic acid monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid benzoyl alpha-amino acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide organic 1,3-dipolar compound gamma-keto acid butyrophenone aromatic homomonocyclic compound monocarboxylic acid or derivatives keto acid hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone

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