DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:21 UTC
Update Date	2025-03-25 00:46:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156599
Frequency	0.5
Structure
Chemical Formula	C₃₃H₃₆O₂₃
Molecular Mass	800.1647
SMILES	O=C1CC(c2ccccc2OC2OC(C(=O)O)C(O)C(O)C2O)Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c21
InChI Key	IKRALOCPJFQEKH-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	acetals alkyl aryl ethers aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones flavanones flavonoid-7-o-glycosides glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols tricarboxylic acids and derivatives
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aryl alkyl ketone glucuronic acid or derivatives 1-benzopyran flavanone flavan o-glucuronide monosaccharide tricarboxylic acid or derivatives alkyl aryl ether carboxylic acid derivative pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane oxane organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran pyran carboxylic acid or derivatives hydroxy acid oxacycle organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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