DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:28 UTC
Update Date	2025-03-21 18:40:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00128164
Frequency	19.9
Structure
Chemical Formula	C₂₃H₂₄O₁₂
Molecular Mass	492.1268
SMILES	COc1cc(CC2COc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3C2=O)ccc1O
InChI Key	IUICBPFMWZJUAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	homoisoflavonoids
Subclass	homoisoflavans
Direct Parent	homoisoflavanones
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers anisoles aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones glucuronic acid derivatives hydrocarbon derivatives isoflavanones isoflavonoids methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran o-glucuronide methoxyphenol monosaccharide pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide acetal chromone isoflavonoid oxane organoheterocyclic compound alcohol benzopyran methoxybenzene vinylogous acid anisole phenol hydrocarbon derivative phenoxy compound aryl ketone carbonyl group ether glucuronic acid or derivatives 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative isoflavanone organic oxide aromatic heteropolycyclic compound chromane pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol homoisoflavanone benzenoid organooxygen compound

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