Compound Identification
SMILES
CC[C@@H](C)C(=O)O[C@]1(C)OC(=O)C2=C(O)C(C(O)=O)=C(O)C=C12
InChIKey
InChIKey=IKQIXFURQHJPCB-NPMWZIQKSA-N
Formula
C15H16O8
Mass
324.285
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
- Level 6 M-phthalic acid and derivatives
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Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Phthalic acid and derivatives
Direct Parent
M-phthalic acid and derivatives
Alternative Parents
Benzofuranones Salicylic acid and derivatives Phthalides Tricarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Ketals Vinylogous acids Carboxylic acid esters Lactones Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta_phthalic_acid - Dihydroxybenzoic acid - Benzofuranone - Hydroxybenzoic acid - Phthalide - Salicylic acid or derivatives - Isobenzofuranone - Isocoumaran - Tricarboxylic acid or derivatives - Ketal - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Vinylogous acid - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Acetal - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
External Descriptors
Not available