DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:04 UTC
Update Date	2025-03-25 00:47:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160322
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₆N₂O₄
Molecular Mass	300.111
SMILES	Nc1c(O)cccc1C(=O)CCNC(=O)c1ccccc1O
InChI Key	CSOXFXZHFDEKQP-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 1-hydroxy-4-unsubstituted benzenoids amino acids and derivatives aryl alkyl ketones benzamides benzoyl derivatives carboxylic acids and derivatives hydrocarbon derivatives organic oxides organooxygen compounds organopnictogen compounds primary amines salicylamides secondary carboxylic acid amides vinylogous acids vinylogous amides
Substituents	monocyclic benzene moiety aryl alkyl ketone amino acid or derivatives benzoyl 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative benzamide organic oxide organonitrogen compound organopnictogen compound vinylogous amide benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group salicylamide aromatic homomonocyclic compound secondary carboxylic acid amide vinylogous acid salicylic acid or derivatives phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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