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	DMID02200610
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₀O₁₂
Molecular Mass	476.0955
SMILES	COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(=O)C(C(=O)O)C(O)C4O)cc3O2)cc1O
InChI Key	RAVLIEDBKUMWFB-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	1,2-diols 1,3-dicarbonyl compounds 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 beta hydroxy acids and derivatives carboxylic acid esters carboxylic acids chromones delta valerolactones dicarboxylic acids and derivatives flavanones hydrocarbon derivatives methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran delta valerolactone flavanone methoxyphenol monosaccharide ketone beta-hydroxy acid saccharide acetal chromone oxane delta_valerolactone organoheterocyclic compound 1,2-diol alcohol benzopyran 5-hydroxyflavonoid methoxybenzene vinylogous acid anisole carboxylic acid ester dicarboxylic acid or derivatives 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative 1,3-dicarbonyl compound phenoxy compound aryl ketone carbonyl group ether flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative lactone organic oxide aromatic heteropolycyclic compound chromane flavonoid-7-o-glycoside hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle organic oxygen compound secondary alcohol benzenoid organooxygen compound

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