DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:54 UTC
Update Date	2025-03-25 00:59:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237606
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₃NO₄S
Molecular Mass	243.0565
SMILES	Nc1c(O)cccc1C(=O)CCCS(=O)O
InChI Key	SLICKRPPCWXSMO-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 alkanesulfinic acids and derivatives aryl alkyl ketones benzoyl derivatives butyrophenones hydrocarbon derivatives organic oxides organooxygen compounds organopnictogen compounds organosulfur compounds primary amines sulfinic acids vinylogous amides
Substituents	monocyclic benzene moiety aryl alkyl ketone sulfinic acid derivative benzoyl 1-hydroxy-2-unsubstituted benzenoid organosulfur compound sulfinic acid alkanesulfinic acid or derivatives organic oxide organonitrogen compound organopnictogen compound vinylogous amide 1-hydroxy-4-unsubstituted benzenoid butyrophenone aromatic homomonocyclic compound phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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