Compound Identification
SMILES
CC(CCC(O)=O)=CCC1=C(CO)C(C)=C2COC(=O)C2=C1O
InChIKey
InChIKey=IZSLBKMCGQJKGL-UHFFFAOYSA-N
Formula
C17H20O6
Mass
320.341
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isocoumarans
-
Subclass
Isobenzofuranones
- Level 5 Phthalides
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Subclass
Isobenzofuranones
-
Class
Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Isobenzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Phthalides
Alternative Parents
Medium-chain fatty acids Heterocyclic fatty acids Hydroxy fatty acids Methyl-branched fatty acids Phenols Unsaturated fatty acids Vinylogous acids Carboxylic acid esters Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Aromatic alcohols Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Medium-chain fatty acid - Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Phenol - Methyl-branched fatty acid - Fatty acyl - Unsaturated fatty acid - Fatty acid - Benzenoid - Vinylogous acid - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Primary alcohol - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic alcohol - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.
External Descriptors
Not available