Compound Identification
SMILES
C[C@@H]1O[C@H]2CC(=O)O[C@H]2C2=C1C(=O)C1=C(C(O)=CC=C1)C2=O
InChIKey
InChIKey=SUJAVBNVXADKSI-XMBDNQPKSA-N
Formula
C16H12O6
Mass
300.266
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isochromanequinones
- Subclass Benzoisochromanequinones
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Class
Isochromanequinones
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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 Furopyrans Quinones Aryl ketones Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Gamma butyrolactones Vinylogous acids Oxolanes Furans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoisochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - Naphthalene - Furopyran - Quinone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Benzenoid - Pyran - Gamma butyrolactone - Vinylogous acid - Oxolane - Furan - Carboxylic acid ester - Ketone - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - 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