DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:15 UTC
Update Date	2025-03-25 01:00:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240687
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₄O₄S
Molecular Mass	290.0613
SMILES	CC(C(=O)c1ccc(S(=O)(=O)O)cc1)c1ccccc1
InChI Key	YENVRHSGBYNMKS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	stilbenes
Subclass	sulfonated stilbenes
Direct Parent	sulfonated stilbenes
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-sulfo,2-unsubstituted aromatic compounds alkyl-phenylketones aryl alkyl ketones arylsulfonic acids and derivatives benzenesulfonic acids and derivatives benzenesulfonyl compounds benzoyl derivatives hydrocarbon derivatives organic oxides organooxygen compounds organosulfonic acids phenylpropanes sulfonyls
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety aryl alkyl ketone organosulfonic acid benzoyl benzenesulfonate organosulfur compound ketone phenylpropane organic oxide benzenesulfonyl group sulfonated stilbene 1-sulfo,2-unsubstituted aromatic compound phenylketone aromatic homomonocyclic compound sulfonyl organic oxygen compound arylsulfonic acid or derivatives organic sulfonic acid or derivatives hydrocarbon derivative benzenoid alkyl-phenylketone organooxygen compound aryl ketone

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