Structure Information
Structure

Compound Identification

SMILES

NC(=O)[C@H](CC1=CC(O)=C(O)C=C1)[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O

InChIKey

InChIKey=MGQTXKULYUUFND-VXGBXAGGSA-N

Formula

C18H19NO7

Mass

361.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Dibenzylbutane lignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzylbutane lignans

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Dibenzylbutane lignan skeleton - 3-phenylpropanoic-acid - Catechol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Fatty amide - Monocyclic benzene moiety - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.

External Descriptors

Not available

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