DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:31 UTC
Update Date	2025-03-21 18:41:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133006
Frequency	19.0
Structure
Chemical Formula	C₁₀H₁₁NO₃
Molecular Mass	193.0739
SMILES	CC(=O)Nc1c(O)cccc1C(C)=O
InChI Key	XJRGYNZIVICCPY-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 acetamides acetanilides acetophenones aryl alkyl ketones benzoyl derivatives carboxylic acids and derivatives hydrocarbon derivatives n-acetylarylamines organic oxides organopnictogen compounds secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety aryl alkyl ketone n-acetylarylamine benzoyl 1-hydroxy-2-unsubstituted benzenoid n-arylamide carboxylic acid derivative organic oxide organonitrogen compound acetophenone organopnictogen compound acetamide vinylogous amide acetanilide 1-hydroxy-4-unsubstituted benzenoid carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide phenol hydrocarbon derivative benzenoid organic nitrogen compound alkyl-phenylketone

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