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	DMID02200615
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₄O₁₁
Molecular Mass	476.1319
SMILES	COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(C(=O)O)CC(O)C4O)cc3O2)cc1OC
InChI Key	ILLLUWXOLGHCTA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-o-methylated flavonoids 4'-o-methylated flavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones carboxylic acids chromones dimethoxybenzenes flavanones flavonoid-7-o-glycosides hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran flavanone pyran carboxylic acid ketone acetal chromone oxane organoheterocyclic compound 1,2-diol alcohol benzopyran 5-hydroxyflavonoid methoxybenzene vinylogous acid anisole 4p-methoxyflavonoid-skeleton hydrocarbon derivative phenoxy compound aryl ketone carbonyl group ether flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative dimethoxybenzene organic oxide aromatic heteropolycyclic compound o-dimethoxybenzene chromane flavonoid-7-o-glycoside pyran carboxylic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol benzenoid organooxygen compound

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