Compound Identification
SMILES
COC(=O)C(CC1=C(Br)C(=O)C2=CC=CC=C2C1=O)C1=C(C(=O)OC)C2=C(CO1)C(=O)C1=CC=CC=C1C2=O
InChIKey
InChIKey=BXUBZPRWWSXHEN-UHFFFAOYSA-N
Formula
C29H19BrO9
Mass
591.366
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isochromanequinones
- Subclass Benzoisochromanequinones
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Class
Isochromanequinones
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isochromanequinones
Subclass
Benzoisochromanequinones
Intermediate Tree Nodes
Not available
Direct Parent
Benzoisochromanequinones
Alternative Parents
Naphthopyranones Naphthoquinones Aryl ketones Quinones Fatty acid esters Pyranones and derivatives Dicarboxylic acids and derivatives Vinylogous esters Methyl esters Alpha-haloketones Enoate esters Vinylogous halides Vinyl bromides Bromoalkenes Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoisochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - Naphthalene - Quinone - Aryl ketone - Pyranone - Fatty acid ester - Pyran - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Alpha-haloketone - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Vinylogous halide - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen 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