DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:09 UTC
Update Date	2025-03-25 00:50:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178875
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₁NO₇
Molecular Mass	411.1318
SMILES	COc1ccc(C2c3cc4c(cc3C(NC(C)=O)C3COC(=O)C23)OCO4)cc1O
InChI Key	LAHZOYXSYDPEMW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lignans, neolignans and related compounds
Class	lignan lactones
Subclass	lignan lactones
Direct Parent	lignan lactones
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals acetamides alkyl aryl ethers anisoles aryltetralin lignans benzodioxoles carbonyl compounds carboxylic acid esters furanonaphthodioxoles gamma butyrolactones hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds phenoxy compounds secondary carboxylic acid amides tametralines tetrahydrofurans
Substituents	linear furanonaphthodioxole tetralin phenol ether monocyclic benzene moiety carbonyl group ether 1-hydroxy-2-unsubstituted benzenoid methoxyphenol 1-aryltetralin lignan alkyl aryl ether carboxylic acid derivative lignan lactone lactone organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound organoheterocyclic compound acetamide benzodioxole naphthofuran tetrahydrofuran 1-hydroxy-4-unsubstituted benzenoid carboxamide group methoxybenzene gamma butyrolactone tametraline oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound anisole carboxylic acid ester phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound

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