DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:50 UTC
Update Date	2025-03-25 00:56:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219482
Frequency	0.5
Structure
Chemical Formula	C₂₉H₃₂O₁₈
Molecular Mass	668.1589
SMILES	COc1cc(C2CC(=O)c3c(O)cc(OC4OC(COC5(C(=O)O)CC(O)C(O)C(C(=O)O)O5)C(O)C(O)C4O)cc3O2)ccc1O
InChI Key	ZWNOXOGTTBGASK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-o-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids alkyl aryl ethers anisoles aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones dicarboxylic acids and derivatives flavanones hydrocarbon derivatives ketals methoxybenzenes methoxyphenols monosaccharides 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 flavanone methoxyphenol monosaccharide pyran carboxylic acid ketone beta-hydroxy acid saccharide acetal chromone ketal oxane organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid methoxybenzene vinylogous acid anisole dicarboxylic acid or derivatives phenol hydrocarbon derivative phenoxy compound aryl ketone carbonyl group ether flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane flavonoid-7-o-glycoside pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton oxacycle organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid benzenoid organooxygen compound

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