DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:22 UTC
Update Date	2025-03-25 00:50:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02183860
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₀O₁₀
Molecular Mass	432.1056
SMILES	O=C1CC(c2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)Oc2c(O)cccc21
InChI Key	XJWYZBNQOPPQPW-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 1-hydroxy-4-unsubstituted benzenoids 8-hydroxyflavonoids acetals alkyl aryl ethers aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones flavanones glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	8-hydroxyflavonoid phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aryl alkyl ketone glucuronic acid or derivatives 1-benzopyran flavanone flavan o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid flavonoid-3p-o-glucuronide ketone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane oxane organoheterocyclic compound alcohol benzopyran pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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