DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:58 UTC
Update Date	2025-03-25 00:58:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233210
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₂O₅
Molecular Mass	284.0685
SMILES	COc1ccc(-c2cc(=O)oc3ccc(O)cc23)cc1O
InChI Key	ZFAWQUOBWCNOAC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	neoflavonoids
Subclass	neoflavones
Direct Parent	neoflavones
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers anisoles coumarins and derivatives heteroaromatic compounds hydrocarbon derivatives lactones methoxybenzenes methoxyphenols organic oxides oxacyclic compounds phenoxy compounds pyranones and derivatives
Substituents	phenol ether monocyclic benzene moiety ether 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether lactone organic oxide aromatic heteropolycyclic compound pyranone organoheterocyclic compound benzopyran 4-phenylcoumarin heteroaromatic compound 1-hydroxy-4-unsubstituted benzenoid methoxybenzene coumarin oxacycle organic oxygen compound pyran anisole phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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