Compound Identification
SMILES
CCCCCCNC(=O)OC1=C(CC=CCCC(O)=O)C(OC)=C(C)C2=C1C(=O)OC2
InChIKey
InChIKey=BYMCNCVPJCZMIO-UHFFFAOYSA-N
Formula
C23H31NO7
Mass
433.501
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 Anisoles Alkyl aryl ethers Amino fatty acids Heterocyclic fatty acids Unsaturated fatty acids Carbamate esters Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Anisole - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Heterocyclic fatty acid - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Carbamic acid ester - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - 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