DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:36:13 UTC
Update Date	2025-03-21 17:57:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00006616
Frequency	777.5
Structure
Chemical Formula	C₁₆H₁₃O₅+
Molecular Mass	285.0758
SMILES	COc1cc(-c2ccc3c(O)cc(O)cc3[o+]2)ccc1O
InChI Key	TZASVKGIRKMDDG-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	o-methylated flavonoids
Direct Parent	3'-o-methylated flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles anthocyanidins heteroaromatic compounds hydrocarbon derivatives methoxybenzenes methoxyphenols organic cations oxacyclic compounds phenoxy compounds
Substituents	phenol ether monocyclic benzene moiety ether 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether aromatic heteropolycyclic compound anthocyanidin organic cation organoheterocyclic compound benzopyran heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3p-methoxyflavonoid-skeleton oxacycle organic oxygen compound anisole 7-hydroxyflavonoid 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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