DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:18 UTC
Update Date	2025-03-25 00:59:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236256
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₁IO₇
Molecular Mass	441.955
SMILES	COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1I
InChI Key	HLODRMBMCCMMRA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavones
Direct Parent	flavonols
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-o-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles aryl iodides chromones flavonoids halophenols heteroaromatic compounds hydrocarbon derivatives iodobenzenes m-iodophenols methoxybenzenes methoxyphenols organic oxides organoiodides oxacyclic compounds phenoxy compounds pyranones and derivatives vinylogous acids
Substituents	3-hydroxyflavone phenol ether monocyclic benzene moiety 3-hydroxyflavonoid ether 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether organohalogen compound iodobenzene organoiodide organic oxide chromone aromatic heteropolycyclic compound pyranone organoheterocyclic compound 3-halophenol benzopyran heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3'-hydroxyflavonoid aryl halide oxacycle vinylogous acid organic oxygen compound pyran anisole 7-hydroxyflavonoid 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative benzenoid aryl iodide halobenzene phenoxy compound 3-iodophenol organooxygen compound

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