Compound Identification
SMILES
CCOC1=C(C)C2=C(C(=O)OC2)C(O)=C1C\C=C(/C)CCC(O)=O
InChIKey
InChIKey=UBXPXEFWJIMLFS-BJMVGYQFSA-N
Formula
C18H22O6
Mass
334.368
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 Phenol ethers Alkyl aryl ethers Heterocyclic fatty acids Hydroxy fatty acids Methyl-branched fatty acids Phenols Unsaturated fatty acids Vinylogous acids Lactones Carboxylic acid esters Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Phenol - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Benzenoid - Vinylogous acid - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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