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Structure Information
Structure

Compound Identification

SMILES

C[C@@H](CC1=CCC[C@](C)(C=C)[C@@H]1C(=C)C=O)OC(=O)C1=CC2=C(OCO2)C2=C1C(=CC1=CC=CC=C21)[N+]([O-])=O

InChIKey

InChIKey=IIBMSRRBRIHDMP-GOVLGDJKSA-N

Formula

C31H29NO7

Mass

527.573

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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 or derivatives - 1-nitronaphthalene - 2-nitronaphthalene - Aromatic monoterpenoid - Monoterpenoid - Naphthalene - Benzodioxole - Nitroaromatic compound - Alpha,beta-unsaturated aldehyde - Enal - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organopnictogen compound - Organic oxide - Carbonyl group - Aldehyde - Organonitrogen compound - Organooxygen compound - 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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