DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:39 UTC
Update Date	2025-03-25 00:56:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219020
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₄O₁₀
Molecular Mass	460.1369
SMILES	COc1ccc(C2CC(=O)c3c(O)cc(OC4CC(O)CC(O)(C(=O)O)C4)cc3O2)cc1O
InChI Key	FIPRFLDUYWCPPW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	o-methylated flavonoids
Direct Parent	4'-o-methylated flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 5-hydroxyflavonoids alkyl aryl ethers alpha hydroxy acids and derivatives anisoles aryl alkyl ketones carboxylic acids chromones cyclitols and derivatives cyclohexanols flavanones hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives organic oxides oxacyclic compounds phenoxy compounds tertiary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aryl alkyl ketone 1-benzopyran flavanone flavan alpha-hydroxy acid 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether carboxylic acid derivative ketone organic oxide chromone aromatic heteropolycyclic compound chromane organoheterocyclic compound alcohol benzopyran cyclohexanol 5-hydroxyflavonoid cyclitol or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid cyclic alcohol methoxybenzene 3'-hydroxyflavonoid oxacycle vinylogous acid tertiary alcohol monocarboxylic acid or derivatives organic oxygen compound anisole secondary alcohol 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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