Compound Identification
SMILES
OC1=C2C=C(O)C(=O)C3=C2C2=C(O1)C(=O)C(O)=CC2=C(O)O3
InChIKey
InChIKey=CYFXRGFESOFDNS-UHFFFAOYSA-N
Formula
C14H6O8
Mass
302.194
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
2-benzopyrans 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 2-benzopyran - 1-benzopyran - Benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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