Structure Information
Structure

Compound Identification

SMILES

C[C@H]1O[C@H](C[C@H]([C@@H]1O)N(C)C)C1=C(O)C2=C(C=C1)C(=O)C1=C([C@@H](C)O[C@H](CC(O)=O)[C@@H]1SC[C@H](N)C(O)=O)C2=O

InChIKey

InChIKey=YIYUYOGSFSLUIM-GWPZBZDCSA-N

Formula

C27H34N2O10S

Mass

578.63

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isochromanequinones

Subclass

Benzoisochromanequinones

Intermediate Tree Nodes

Not available

Direct Parent

Benzoisochromanequinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoisochromanequinone - Naphthopyranone - Naphthopyran - L-cysteine-s-conjugate - Naphthoquinone - Cysteine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - L-alpha-amino acid - Quinone - Aryl ketone - Hydroxy fatty acid - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Thia fatty acid - Phenol - Pyranone - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Oxane - Pyran - Vinylogous acid - 1,2-aminoalcohol - Secondary alcohol - Amino acid - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Ketone - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Organoheterocyclic compound - Ether - Dialkylthioether - Sulfenyl compound - Thioether - Amine - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoisochromanequinones. These are benzo derivatives of isochromanequinones. Isochromanequinones are 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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