Compound Identification
SMILES
CC1(C)C(O)=C(C(=O)CCC2=CC=CC=C2)C(=O)C(C)(C)C1=O
InChIKey
InChIKey=KUWGTESSHWPSOB-UHFFFAOYSA-N
Formula
C19H22O4
Mass
314.381
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinones
-
Level 8
Benzoquinones
- Level 9 M-benzoquinones
-
Level 8
Benzoquinones
-
Level 7
Quinones
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinones - Benzoquinones
Direct Parent
M-benzoquinones
Alternative Parents
Cyclohexenones Benzene and substituted derivatives Vinylogous acids Enols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-benzoquinone - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Enol - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 3-position, respectively.
External Descriptors
LIPIDMAPS (LMPK12120595) : Chalcones and dihydrochalcones