DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:07 UTC
Update Date	2025-03-21 18:00:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00024581
Frequency	158.3
Structure
Chemical Formula	C₂₁H₂₀O₁₁
Molecular Mass	448.1006
SMILES	COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C4O)cc3O2)cc1O
InChI Key	RFWRHLVNBYFUIY-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-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 acids chromones flavanones hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds phenoxy compounds secondary alcohols tetrahydrofurans vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran flavanone methoxyphenol monosaccharide ketone beta-hydroxy acid saccharide acetal chromone organoheterocyclic compound 1,2-diol alcohol benzopyran 5-hydroxyflavonoid methoxybenzene vinylogous acid anisole 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative phenoxy compound aryl ketone carbonyl group ether flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane flavonoid-7-o-glycoside tetrahydrofuran hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol benzenoid organooxygen compound

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