DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:34 UTC
Update Date	2025-03-25 00:51:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186636
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₃N₃O₄
Molecular Mass	309.1689
SMILES	Nc1ccc(O)cc1C(=O)CCNCCCCC(N)C(=O)O
InChI Key	LPSMDJGYEJDSAB-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	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amino acids amino fatty acids aryl alkyl ketones benzoyl derivatives carbocyclic fatty acids carboxylic acids dialkylamines hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds vinylogous amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid fatty acid alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid vinylogous amide secondary aliphatic amine secondary amine amino fatty acid aromatic homomonocyclic compound monocarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone

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