DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:39 UTC
Update Date	2025-03-21 18:41:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00135514
Frequency	18.5
Structure
Chemical Formula	C₁₀H₁₃NO₄
Molecular Mass	211.0845
SMILES	Nc1c(O)cccc1C(=O)CC(O)CO
InChI Key	YPEWEHMCWZCVOP-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	1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids aryl alkyl ketones benzoyl derivatives beta-hydroxy ketones butyrophenones hydrocarbon derivatives organic oxides organopnictogen compounds primary alcohols primary amines secondary alcohols vinylogous amides
Substituents	beta-hydroxy ketone monocyclic benzene moiety aryl alkyl ketone benzoyl 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound organopnictogen compound primary alcohol 1,2-diol alcohol vinylogous amide 1-hydroxy-4-unsubstituted benzenoid butyrophenone aromatic homomonocyclic compound secondary alcohol phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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