Compound Identification
SMILES
CC1=CC(=O)OC2=C3C(=O)COC3=C(C=C12)N=[N+]=[N-]
InChIKey
InChIKey=WSPGREMUEFBIRQ-UHFFFAOYSA-N
Formula
C12H7N3O4
Mass
257.205
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Furanocoumarins
- Level 5 Angular furanocoumarins
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Subclass
Furanocoumarins
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Furanocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Angular furanocoumarins
Alternative Parents
1-benzopyrans Benzofurans Coumarans Aryl alkyl ketones Pyranones and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Azo compounds Azo imides Lactones Oxacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Benzopyran - 1-benzopyran - Coumaran - Benzofuran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Azo compound - Azo imide - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.
External Descriptors
Not available