DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:11 UTC
Update Date	2025-03-25 00:59:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236023
Frequency	0.5
Structure
Chemical Formula	C₃₄H₃₄O₁₉
Molecular Mass	746.1694
SMILES	COc1ccc(C2C(=O)c3c(OC4OC(C(=O)O)C(O)C(O)C4O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OC2c2ccc(O)cc2)cc1O
InChI Key	UBXFSSDQZRHDMS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	isoflavonoids
Subclass	isoflavonoid o-glycosides
Direct Parent	isoflavonoid o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxy,4'-methoxyisoflavonoids 4'-hydroxyflavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones dicarboxylic acids and derivatives flavanones flavonoid-7-o-glucuronides flavonoid-7-o-glycosides glucuronic acid derivatives hydrocarbon derivatives isoflavanones methoxybenzenes methoxyphenols monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols stilbenes
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran flavanone o-glucuronide methoxyphenol monosaccharide pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide acetal chromone oxane organoheterocyclic compound 4p-methoxyisoflavonoid alcohol isoflavan benzopyran methoxybenzene anisole dicarboxylic acid or derivatives phenol hydrocarbon derivative phenoxy compound isoflavonoid-5-o-glycoside aryl ketone stilbene carbonyl group ether glucuronic acid or derivatives flavan 1-hydroxy-2-unsubstituted benzenoid isoflavonoid-7-o-glycoside alkyl aryl ether carboxylic acid derivative isoflavanone flavonoid-5-o-glucuronide organic oxide aromatic heteropolycyclic compound chromane flavonoid flavonoid-7-o-glycoside pyran carboxylic acid or derivatives 3'-hydroxy,4'-methoxyisoflavonoid flavonoid-5-o-glycoside isoflavonoid o-glycoside hydroxy acid 1-hydroxy-4-unsubstituted benzenoid flavonoid o-glycoside oxacycle organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol 4'-hydroxyflavonoid benzenoid organooxygen compound

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