DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:40 UTC
Update Date	2025-03-21 17:59:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00019027
Frequency	216.5
Structure
Chemical Formula	C₁₆H₁₂O₆
Molecular Mass	300.0634
SMILES	COc1cc2c(=O)cc(-c3ccc(O)c(O)c3)oc2cc1O
InChI Key	STCLYCCAPYNAAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	o-methylated flavonoids
Direct Parent	6-o-methylated flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles benzene and substituted derivatives chromones flavonoids heteroaromatic compounds hydrocarbon derivatives organic oxides oxacyclic compounds pyranones and derivatives
Substituents	phenol ether monocyclic benzene moiety ether 1-benzopyran 6-methoxyflavonoid-skeleton 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether organic oxide chromone aromatic heteropolycyclic compound pyranone organoheterocyclic compound benzopyran heteroaromatic compound 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle organic oxygen compound pyran anisole 7-hydroxyflavonoid 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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