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Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C(=C1)[C@H]1OC2=C(OC)C(=C3C=CC(=O)OC3=C2O[C@@H]1CO[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=XCTHOGNZYIDTNT-RHSMWYFYSA-N

Formula

C21H17N3O14

Mass

535.374

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Coumarinolignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarinolignans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Angular-fused coumarolignan skeleton - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - P-dioxolo[2,3-h]coumarin - Coumarin - Nitrophenyl ether - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Methoxyaniline - Nitrobenzene - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Nitroaromatic compound - Alkyl aryl ether - Pyranone - Para-dioxin - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Alkyl nitrate - Organic nitrate - Organic nitro compound - Lactone - C-nitro compound - Organic nitric acid or derivatives - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic salt - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarinolignans. These are lignans with a structure characterized by the presence of a 1,4-dioxane bridge substituted by a phenyl group, and fused to a coumarin.

External Descriptors

Not available

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