DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:43 UTC
Update Date	2025-03-25 00:53:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02200632
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₄O₁₁
Molecular Mass	464.1319
SMILES	COc1ccc(C2CC(=O)c3c(cccc3OC3OC(C(O)O)C(O)C(O)C3O)O2)cc1O
InChI Key	XKIDJPKAENABMT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-o-methylated flavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones carbonyl hydrates chromones flavanones hydrocarbon derivatives methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds secondary alcohols
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone carbonyl hydrate 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether ketone saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane oxane organoheterocyclic compound alcohol benzopyran flavonoid-5-o-glycoside 1-hydroxy-4-unsubstituted benzenoid methoxybenzene flavonoid o-glycoside 3'-hydroxyflavonoid oxacycle organic oxygen compound anisole secondary alcohol 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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