DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:35 UTC
Update Date	2025-03-25 00:56:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02218886
Frequency	0.5
Structure
Chemical Formula	C₂₅H₂₈O₉
Molecular Mass	472.1733
SMILES	COc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(C)C(C)C4C)ccc3C(=O)C2O)cc1O
InChI Key	VYGCLWJHASEJMW-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-o-methylated flavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones carboxylic acids chromones flavanonols flavonoid-7-o-glycosides hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carbonyl group ether carboxylic acid aryl alkyl ketone 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether carboxylic acid derivative pyran carboxylic acid ketone organic oxide acetal chromone aromatic heteropolycyclic compound chromane oxane organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran pyran carboxylic acid or derivatives flavanonol 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3'-hydroxyflavonoid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole flavonoid-7-o-glucuronide secondary alcohol 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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