Compound Identification
SMILES
COC(=O)C1(OC(=O)CCC(O)=O)C(=O)NC2=C1C(=O)C1=CC=CC=C1C2=O
InChIKey
InChIKey=WXJGNITZZJQVEN-UHFFFAOYSA-N
Formula
C18H13NO9
Mass
387.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
- Subclass Naphthoquinones
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthoquinones
Intermediate Tree Nodes
Not available
Direct Parent
Naphthoquinones
Alternative Parents
Indolequinones Tricarboxylic acids and derivatives Indoles Aryl ketones Quinones Pyrroline carboxylic acids Fatty acid esters Vinylogous amides Methyl esters Lactams Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthoquinone - Indolequinone - Indole - Indole or derivatives - Tricarboxylic acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Quinone - Aryl ketone - Fatty acid ester - Fatty acyl - Methyl ester - Vinylogous amide - Pyrroline - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
External Descriptors
Not available