DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:31 UTC
Update Date	2025-03-25 00:54:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206968
Frequency	0.5
Structure
Chemical Formula	C₂₅H₂₂O₁₁
Molecular Mass	498.1162
SMILES	O=C(O)C1OC(Oc2cc(O)cc3c2-c2ccc(O)cc2C(c2ccc(O)cc2)O3)C(O)C(O)C1O
InChI Key	GKQIHDSTFYYPIQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 2-benzopyrans 4'-hydroxyflavonoids 7-hydroxyflavonoids acetals alkyl aryl ethers benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dibenzopyrans flavonoids glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives 1-benzopyran o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid flavonoid-5-o-glucuronide 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound oxane organoheterocyclic compound alcohol benzopyran pyran carboxylic acid or derivatives hydroxy acid dibenzopyran oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran 7-hydroxyflavonoid 2-benzopyran secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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