Compound Identification
SMILES
O=C1CC(=O)OC(CC#CC2=CC3=C(CCO3)C=C2)(C1)C1CCCC1
InChIKey
InChIKey=QMAICSNIZVNFHA-UHFFFAOYSA-N
Formula
C21H22O4
Mass
338.403
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarans
Alternative Parents
Delta valerolactones Alkyl aryl ethers Oxanes Benzenoids 1,3-dicarbonyl compounds Cyclic ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaran - Alkyl aryl ether - Delta valerolactone - Delta_valerolactone - Oxane - 1,3-dicarbonyl compound - Benzenoid - Lactone - Ketone - Carboxylic acid ester - Cyclic ketone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
External Descriptors
Not available