DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:37 UTC
Update Date	2025-03-21 18:00:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00028109
Frequency	134.3
Structure
Chemical Formula	C₁₆H₁₄O₅
Molecular Mass	286.0841
SMILES	COc1cc(C=CC(=O)c2ccc(O)cc2O)ccc1O
InChI Key	BWFSBUVPIAIXKJ-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 phenoxy compounds resorcinols vinylogous acids
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 resorcinol ketone cinnamic acid or derivatives organic oxide 1-hydroxy-4-unsubstituted benzenoid methoxybenzene hydroxycinnamic acid aromatic homomonocyclic compound vinylogous acid organic oxygen compound anisole phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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