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Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(OC)=C(OC)C2=C3C=C(O)C=CC3=CC(=C12)[N+]([O-])=O

InChIKey

InChIKey=NYRWXSZXODTBSI-UHFFFAOYSA-N

Formula

C18H15NO7

Mass

357.318

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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 homopolycyclic compounds

Substituents

Aristolochic acid or derivatives - Phenanthrol - 1-naphthalenecarboxylic acid or derivatives - 1-nitronaphthalene - 2-nitronaphthalene - M-methoxybenzoic acid or derivatives - 2-naphthol - P-methoxybenzoic acid or derivatives - Naphthalene - Phenol ether - Anisole - Nitroaromatic compound - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Aromatic homopolycyclic 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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