Compound Identification
SMILES
COC1=C(C)C2=C(C(=O)OC2)C(O)=C1CC=C(C)C(CC(O)=O)CC(O)=O
InChIKey
InChIKey=YFAVDKRPQOSPOY-UHFFFAOYSA-N
Formula
C19H22O8
Mass
378.377
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isocoumarans
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Subclass
Isobenzofuranones
- Level 5 Phthalides
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Subclass
Isobenzofuranones
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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
Anisoles Medium-chain fatty acids Phenols Alkyl aryl ethers Methyl-branched fatty acids Hydroxy fatty acids Heterocyclic fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Vinylogous acids Lactones Carboxylic acid esters Oxacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Anisole - Medium-chain fatty acid - Phenol ether - Alkyl aryl ether - Branched fatty acid - Heterocyclic fatty acid - Methyl-branched fatty acid - Phenol - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Vinylogous acid - Carboxylic acid ester - Lactone - Ether - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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