DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:26 UTC
Update Date	2025-03-25 00:46:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02154510
Frequency	0.5
Structure
Chemical Formula	C₃₁H₃₈O₁₄
Molecular Mass	634.2262
SMILES	COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(C(=O)O)C(C)C(C)C4C)cc3O2)cc1OC1OC(CO)C(O)C(O)C1O
InChI Key	PPDFYVFKTKMKPN-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 1-hydroxy-4-unsubstituted benzenoids 4'-o-methylated flavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones carboxylic acids chromones flavanones flavonoid-7-o-glycosides hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds primary alcohols pyran carboxylic acids secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran flavanone monosaccharide pyran carboxylic acid ketone saccharide acetal chromone oxane organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid methoxybenzene vinylogous acid anisole 4p-methoxyflavonoid-skeleton 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 primary alcohol flavonoid-7-o-glycoside pyran carboxylic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol benzenoid organooxygen compound

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