Compound Identification
SMILES
O[C@@H]1CS[C@H](OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)[C@H](O)[C@H]1O
InChIKey
InChIKey=LAEJGIVBJLKFRI-PCDDKUFXSA-N
Formula
C15H13F3O6S
Mass
378.32
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
1-benzopyrans Phenol ethers Pyranones and derivatives Thianes Monothioacetals Heteroaromatic compounds Secondary alcohols Lactones Polyols Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Pyranone - Benzenoid - Thiane - Pyran - Monothioacetal - Heteroaromatic compound - Lactone - Secondary alcohol - Polyol - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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