DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:16 UTC
Update Date	2025-03-25 00:50:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179104
Frequency	0.5
Structure
Chemical Formula	C₂₇H₂₄O₁₅
Molecular Mass	588.1115
SMILES	COc1ccc(C2CC(=O)c3c(oc(-c4ccc(O)cc4O)c(OC4OC(C(=O)O)C(O)C(O)C4O)c3=O)O2)cc1O
InChI Key	VHORHRNCJFIZMX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	diarylheptanoids
Subclass	linear diarylheptanoids
Direct Parent	linear diarylheptanoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers anisoles aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids pyranones and derivatives resorcinols secondary alcohols vinylogous esters
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aryl alkyl ketone glucuronic acid or derivatives o-glucuronide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid resorcinol ketone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound pyranone oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives vinylogous ester heteroaromatic compound hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole secondary alcohol phenol linear 1,7-diphenylheptane skeleton hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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