DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:49 UTC
Update Date	2025-03-25 01:02:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253480
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₃NO₃
Molecular Mass	243.0895
SMILES	Nc1ccccc1C(=O)C(O)c1cccc(O)c1
InChI Key	ADJWCSMZJQACML-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	stilbenes
Subclass	benzoins
Direct Parent	benzoins
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acyloins alkyl-phenylketones aromatic alcohols aryl alkyl ketones benzoyl derivatives hydrocarbon derivatives organic oxides organopnictogen compounds primary amines secondary alcohols vinylogous amides
Substituents	aromatic alcohol monocyclic benzene moiety aryl alkyl ketone benzoyl 1-hydroxy-2-unsubstituted benzenoid ketone organic oxide organonitrogen compound organopnictogen compound alcohol vinylogous amide benzoin 1-hydroxy-4-unsubstituted benzenoid phenylketone aromatic homomonocyclic compound organic oxygen compound acyloin secondary alcohol phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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