Compound Identification
SMILES
COC1=CC2=C(C=C1)C=C(C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F)C(=O)O2
InChIKey
InChIKey=YXTFVZJFEDLRET-UHFFFAOYSA-N
Formula
C17H7F5O5
Mass
386.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
Phenol esters 1-benzopyrans Phenoxy compounds Anisoles Pyranones and derivatives Fluorobenzenes Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Phenol ester - 1-benzopyran - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyranone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available