Compound Identification
SMILES
CC[C@@H]([C@@H]1CCC\C1=C\CC1=C(OC)C(C)=C2COC(=O)C2=C1O)C(O)=O
InChIKey
InChIKey=WMJIBYMXQFJAQH-MIWOTCCTSA-N
Formula
C21H26O6
Mass
374.433
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
Anisoles Phenols Alkyl aryl ethers Vinylogous acids Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Anisole - Phenol ether - Alkyl aryl ether - Phenol - Benzenoid - Vinylogous acid - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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