Compound Identification
SMILES
OC1CC(=O)C2=C1C1=C(OC2=O)C2=C(OC3OCCC23)C=C1
InChIKey
InChIKey=KBIKZIOQFXUCRZ-UHFFFAOYSA-N
Formula
C16H12O6
Mass
300.266
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
- Subclass Difurocoumarins
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Difurocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Difurocoumarins
Alternative Parents
Angular furanocoumarins 1-benzopyrans Coumarans Aryl alkyl ketones Pyranones and derivatives Benzenoids Oxolanes Heteroaromatic compounds Secondary alcohols Lactones Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Difurocoumarin - Angular furanocoumarin - Furanocoumarin - Benzopyran - 1-benzopyran - Coumaran - Aryl alkyl ketone - Aryl ketone - Pyranone - Pyran - Benzenoid - Oxolane - Heteroaromatic compound - Secondary alcohol - Lactone - Ketone - Acetal - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as difurocoumarins. These are polycyclic aromatic compounds containing difurocoumarin moiety consisting of a system of two fused furan rings, which is linked to the benzene ring of a coumarin.
External Descriptors
Not available