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Structure Information
Structure

Compound Identification

SMILES

[Na+].COC1=C(OC)C2=CC(=C3C(=CC4=C(OCO4)C3=C2C=C1)C([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=FPGSIDYJUJXXAC-UHFFFAOYSA-M

Formula

C18H12NNaO8

Mass

393.283

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenanthrenes and derivatives

Subclass

Aristolochic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Aristolochic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aristolochic acid or derivatives - 1-naphthalenecarboxylic acid - 1-naphthalenecarboxylic acid or derivatives - 1-nitronaphthalene - 2-nitronaphthalene - Naphthalene - Benzodioxole - Nitroaromatic compound - Anisole - Alkyl aryl ether - Carboxylic acid salt - Organic nitro compound - C-nitro compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aristolochic acids and derivatives. These are organic heterocyclic compounds with a structure characterized by a nitrophenanthro[3,4-d][1,3]dioxole ring system substituted at position 5, 6, and 8 by a carboxyl group (or a derivative thereof), a nitro group, and a methoxy group, respectively.

External Descriptors

Not available

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