DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:15 UTC
Update Date	2025-03-25 00:50:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179090
Frequency	0.5
Structure
Chemical Formula	C₂₀H₁₆O₆
Molecular Mass	352.0947
SMILES	COc1ccc(C2CC(=O)c3c(cc4c(O)cccc4c3O)O2)cc1O
InChI Key	RPMVCSAPYHBNCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	o-methylated flavonoids
Direct Parent	4'-o-methylated flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 5-hydroxyflavonoids alkyl aryl ethers anisoles aryl alkyl ketones benzochromones flavanones hydrocarbon derivatives methoxybenzenes methoxyphenols naphthols and derivatives naphthopyranones organic oxides oxacyclic compounds phenoxy compounds pyranones and derivatives vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether ketone organic oxide chromone aromatic heteropolycyclic compound benzochromone pyranone chromane organoheterocyclic compound benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene naphthopyranone 3'-hydroxyflavonoid oxacycle vinylogous acid naphthopyran naphthalene organic oxygen compound pyran anisole 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative 1-naphthol benzenoid phenoxy compound organooxygen compound aryl ketone

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