Structure Information
Structure

Compound Identification

SMILES

CCC(=S)OC1=C2C(=O)OCC2=C(C)C(OC)=C1C\C=C(/C)C[C@H](CCN1CCOCC1)C(O)=O

InChIKey

InChIKey=ZSPIUQGWWKDNIU-SCFNNSENSA-N

Formula

C26H35NO7S

Mass

505.63

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isocoumarans

Subclass

Isobenzofuranones

Intermediate Tree Nodes

Not available

Direct Parent

Phthalides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalide - Anisole - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Branched fatty acid - Heterocyclic fatty acid - Methyl-branched fatty acid - Morpholine - Oxazinane - Unsaturated fatty acid - Fatty acyl - Fatty acid - Benzenoid - Thiocarboxylic acid ester - Carbothioic o-ester - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Amino acid - Carboxylic acid ester - Lactone - Thiocarboxylic acid or derivatives - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Dialkyl ether - Thiocarbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Amine - Organic oxygen compound - 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

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