DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:42 UTC
Update Date	2025-03-25 00:53:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02200582
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₄O₁₂
Molecular Mass	480.1268
SMILES	COc1ccc(C2COc3cc(OC4OC(C(O)O)C(O)C(O)C4O)cc(O)c3C2=O)cc1O
InChI Key	ROAPOAACAOFJIQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	isoflavonoids
Subclass	isoflavonoid o-glycosides
Direct Parent	isoflavonoid o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxy,4'-methoxyisoflavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones carbonyl hydrates chromones hydrocarbon derivatives isoflavanols isoflavanones methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone carbonyl hydrate 1-benzopyran isoflavanol 1-hydroxy-2-unsubstituted benzenoid isoflavonoid-7-o-glycoside methoxyphenol monosaccharide alkyl aryl ether isoflavanone ketone saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane oxane organoheterocyclic compound 4p-methoxyisoflavonoid alcohol isoflavan benzopyran 3'-hydroxy,4'-methoxyisoflavonoid isoflavonoid o-glycoside 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle vinylogous acid organic oxygen compound anisole secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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