DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:37 UTC
Update Date	2025-03-21 18:38:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00121451
Frequency	21.3
Structure
Chemical Formula	C₁₆H₁₅NO₄
Molecular Mass	285.1001
SMILES	COc1cc(C=CC(=O)c2cccc(O)c2N)ccc1O
InChI Key	BHUGKEOONWTHIO-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 alkyl aryl ethers alpha,beta-unsaturated ketones anisoles aryl ketones benzoyl derivatives hydrocarbon derivatives hydroxycinnamic acids methoxybenzenes methoxyphenols organic oxides organopnictogen compounds phenoxy compounds primary amines vinylogous amides
Substituents	phenol ether monocyclic benzene moiety ether benzoyl 1-hydroxy-2-unsubstituted benzenoid methoxyphenol cinnamylphenol alkyl aryl ether 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 methoxybenzene hydroxycinnamic acid aromatic homomonocyclic compound organic oxygen compound anisole phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound phenoxy compound amine organooxygen compound aryl ketone

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