DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:54 UTC
Update Date	2025-03-21 18:29:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00078754
Frequency	37.1
Structure
Chemical Formula	C₂₁H₂₂O₁₀
Molecular Mass	434.1213
SMILES	COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C4O)cc3O2)cc1O
InChI Key	CQQUPSNZKSPCPN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-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 5-hydroxyflavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones chromones flavanones hydrocarbon derivatives methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds phenoxy compounds primary alcohols secondary alcohols tetrahydrofurans vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether ketone saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane primary alcohol organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran tetrahydrofuran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3'-hydroxyflavonoid oxacycle vinylogous acid organic oxygen compound anisole secondary alcohol 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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