DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:21 UTC
Update Date	2025-03-21 18:38:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120813
Frequency	21.5
Structure
Chemical Formula	C₁₅H₁₃NO₃
Molecular Mass	255.0895
SMILES	Nc1c(O)cccc1C(=O)C=Cc1ccc(O)cc1
InChI Key	OOLKGMGVJWDAPR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	linear 1,3-diarylpropanoids
Subclass	cinnamylphenols
Direct Parent	cinnamylphenols
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha,beta-unsaturated ketones aryl ketones benzoyl derivatives hydrocarbon derivatives hydroxycinnamic acids organic oxides organooxygen compounds organopnictogen compounds primary amines vinylogous amides
Substituents	monocyclic benzene moiety benzoyl 1-hydroxy-2-unsubstituted benzenoid cinnamylphenol alpha,beta-unsaturated ketone hydroxycinnamic acid or derivatives ketone cinnamic acid or derivatives organic oxide organonitrogen compound organopnictogen compound vinylogous amide 1-hydroxy-4-unsubstituted benzenoid hydroxycinnamic acid aromatic homomonocyclic compound organic oxygen compound phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound aryl ketone

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