DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:32 UTC
Update Date	2025-03-21 18:06:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00063417
Frequency	48.7
Structure
Chemical Formula	C₂₁H₂₀O₁₃
Molecular Mass	480.0904
SMILES	O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	FQWOSGYUPXOSFB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-3-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids acetals alkyl aryl ethers aryl alkyl ketones benzene and substituted derivatives beta hydroxy acids and derivatives carboxylic acids chromones flavanonols flavonoid-3-o-glycosides glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols vinylogous acids
Substituents	monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran flavanone o-glucuronide monosaccharide pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide acetal chromone flavonoid-3-o-glucuronide flavonoid-3-o-glycoside oxane organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid flavanonol vinylogous acid 7-hydroxyflavonoid phenol hydrocarbon derivative aryl ketone carbonyl group ether glucuronic acid or derivatives flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid benzenoid organooxygen compound

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