Compound Identification
SMILES
CC1OC(CC(O)=O)CC2=C1C(=O)C1=C(C=CC=C1C)C2=O
InChIKey
InChIKey=PMXZVDGARIXAFU-UHFFFAOYSA-N
Formula
C17H16O5
Mass
300.31
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 Quinones Aryl ketones Pyranones and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoisochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - Naphthalene - Quinone - Aryl ketone - Pyranone - Benzenoid - Pyran - Ketone - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen 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