Structure Information
Structure

Compound Identification

SMILES

CNC1=C(SC[C@H](NC(C)=O)C(O)=O)C(=O)C2=C(O)C3=C(C[C@H](CC(O)=O)O[C@@H]3CCC(C)C)C=C2C1=O

InChIKey

InChIKey=OGFKCFDHVVBHKQ-HYVNUMGLSA-N

Formula

C26H32N2O9S

Mass

548.61

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isochromanequinones

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Isochromanequinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isochromanequinone - Naphthopyranone - Naphthopyran - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Naphthoquinone - Cysteine or derivatives - Naphthalene - Benzopyran - Alpha-amino acid or derivatives - 2-benzopyran - Isochromane - Quinone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Pyranone - Dicarboxylic acid or derivatives - Vinylogous thioester - Benzenoid - Pyran - Vinylogous acid - Vinylogous amide - Acetamide - Carboxamide group - Ketone - Thioenolether - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Oxacycle - Enamine - Ether - Organoheterocyclic compound - Sulfenyl compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isochromanequinones. These are polycyclic compounds containing an isochromanequinone, which is structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton.

External Descriptors

Not available

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