DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:50 UTC
Update Date	2025-03-25 00:53:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203121
Frequency	0.5
Structure
Chemical Formula	C₂₇H₂₈O₁₇
Molecular Mass	624.1326
SMILES	O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(OC3C(C(=O)O)OC(O)C(O)C3O)c21
InChI Key	YOBXFNJNGSXJNB-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-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids acetals alkyl aryl ethers aryl alkyl ketones benzene and substituted derivatives beta hydroxy acids and derivatives carboxylic acids chromones dicarboxylic acids and derivatives flavanones flavonoid-7-o-glycosides glucuronic acid derivatives hemiacetals hydrocarbon 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 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 ketone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane hemiacetal 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 dicarboxylic acid or derivatives 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound aryl ketone

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