DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:18 UTC
Update Date	2025-03-25 00:50:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179202
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₄O₁₄
Molecular Mass	524.1166
SMILES	COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(C(O)(O)C(=O)O)C(O)C(O)C4O)cc3O2)cc1O
InChI Key	SBCBOYJNKPIJLA-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 alpha hydroxy acids and derivatives anisoles aryl alkyl ketones carbonyl hydrates carboxylic acids chromones flavanones hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives 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 flavanone methoxyphenol monosaccharide ketone saccharide acetal chromone oxane organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid methoxybenzene vinylogous acid anisole 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative phenoxy compound aryl ketone carbonyl group ether carbonyl hydrate flavan alpha-hydroxy acid 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane flavonoid-7-o-glycoside 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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