DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:50 UTC
Update Date	2025-03-25 00:45:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02150740
Frequency	0.5
Structure
Chemical Formula	C₂₅H₃₀O₉
Molecular Mass	474.189
SMILES	COc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(C)C(C)C4C)c(O)cc3CC2O)cc1O
InChI Key	MQWHPQCBCAGTTD-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-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-o-methylated flavonoids 6-hydroxyflavonoids acetals alkyl aryl ethers anisoles carbonyl compounds carboxylic acids flavan-3-ols 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 1-benzopyran flavan 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether carboxylic acid derivative pyran carboxylic acid organic oxide acetal aromatic heteropolycyclic compound chromane oxane flavan-3-ol organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran pyran carboxylic acid or derivatives 6-hydroxyflavonoid 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

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