DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:49 UTC
Update Date	2025-03-25 00:59:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237444
Frequency	0.5
Structure
Chemical Formula	C₂₆H₂₂O₁₄
Molecular Mass	558.101
SMILES	O=C1CC(c2ccc(O)c(O)c2)Oc2oc(-c3ccc(O)cc3)c(OC3OC(C(=O)O)C(O)C(O)C3O)c(=O)c21
InChI Key	DSORJWIUXNWCJT-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 aryl alkyl ketones benzene and substituted derivatives beta hydroxy acids and derivatives carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes pyran carboxylic acids pyranones and derivatives secondary alcohols vinylogous esters
Substituents	monocyclic benzene moiety carbonyl group ether carboxylic acid aryl alkyl ketone glucuronic acid or derivatives o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 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 oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol phenol linear 1,7-diphenylheptane skeleton hydrocarbon derivative benzenoid organooxygen compound aryl ketone

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