DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:51 UTC
Update Date	2025-03-25 00:50:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178194
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₄O₁₂
Molecular Mass	492.1268
SMILES	COC(=O)C1C(O)OC(Oc2cc(O)c3c(c2)OC(c2ccc(OC)c(O)c2)CC3=O)C(O)C1O
InChI Key	JUYMNJQVWYGNKD-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	1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-o-methylated flavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones beta hydroxy acids and derivatives chromones flavanones hemiacetals hydrocarbon derivatives methoxybenzenes methoxyphenols methyl esters monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety aryl alkyl ketone 1-benzopyran flavanone methoxyphenol monosaccharide ketone beta-hydroxy acid saccharide methyl ester acetal chromone hemiacetal oxane organoheterocyclic compound 1,2-diol alcohol benzopyran 5-hydroxyflavonoid methoxybenzene vinylogous acid anisole carboxylic acid ester 4p-methoxyflavonoid-skeleton 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 hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol benzenoid organooxygen compound

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