Compound Identification
SMILES
COC1=C(CC=C(C)CC(C(O)OCCN2CCOCC2)C(O)=O)C(O)=C2C(=O)OCC2=C1C
InChIKey
InChIKey=HRJAOANATKGCMM-UHFFFAOYSA-N
Formula
C24H33NO9
Mass
479.526
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Isocoumarans
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Subclass
Isobenzofuranones
- Level 5 Phthalides
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Subclass
Isobenzofuranones
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Class
Isocoumarans
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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 Alkyl aryl ethers Amino fatty acids Beta hydroxy acids and derivatives Heterocyclic fatty acids Hydroxy fatty acids Methyl-branched fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Morpholines Vinylogous acids Hemiacetals Amino acids Carboxylic acid esters Trialkylamines Lactones Dialkyl ethers Carboxylic acids Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Anisole - Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Beta-hydroxy acid - Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Oxazinane - Benzenoid - Fatty acid - Fatty acyl - Unsaturated fatty acid - Hydroxy acid - Morpholine - Dicarboxylic acid or derivatives - Vinylogous acid - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Hemiacetal - Tertiary aliphatic amine - Lactone - Tertiary amine - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organopnictogen compound - Organic oxide - Organonitrogen compound - 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