DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:37 UTC
Update Date	2025-03-21 17:59:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00018923
Frequency	217.7
Structure
Chemical Formula	C₂₀H₁₈O₅
Molecular Mass	338.1154
SMILES	COc1cc(C=CC(=O)CC(=O)C=Cc2cccc(O)c2)ccc1O
InChI Key	OZWCGBVPVWDTJZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	diarylheptanoids
Subclass	linear diarylheptanoids
Direct Parent	linear diarylheptanoids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acryloyl compounds alkyl aryl ethers anisoles enones hydrocarbon derivatives hydroxycinnamic acids ketones methoxybenzenes methoxyphenols organic oxides phenoxy compounds
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether alpha,beta-unsaturated ketone hydroxycinnamic acid or derivatives ketone cinnamic acid or derivatives organic oxide enone 1-hydroxy-4-unsubstituted benzenoid methoxybenzene hydroxycinnamic acid aromatic homomonocyclic compound organic oxygen compound anisole linear 1,7-diphenylheptane skeleton phenol hydrocarbon derivative benzenoid acryloyl-group phenoxy compound organooxygen compound

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