Compound Identification
SMILES
[H][C@@]1(C[C@@]2([H])C3=C(O[C@@]2([H])O1)C=C(OC)C1=C3OC(=O)C2=C1CCC2=O)OC(=O)CCC(=O)OC
InChIKey
InChIKey=CAGNOTWUQAZYDJ-QKIXJAJISA-N
Formula
C22H20O10
Mass
444.392
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Furanocoumarins
-
Level 5
Angular furanocoumarins
-
Level 6
Aflatoxins
- Level 7 Difurocoumarocyclopentenones
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Level 6
Aflatoxins
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Level 5
Angular furanocoumarins
-
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
Angular furanocoumarins - Aflatoxins
Direct Parent
Difurocoumarocyclopentenones
Alternative Parents
Difurocoumarins 1-benzopyrans Coumarans Anisoles Aryl alkyl ketones Alkyl aryl ethers Pyranones and derivatives Fatty acid methyl esters Dicarboxylic acids and derivatives Tetrahydrofurans Methyl esters Heteroaromatic compounds Lactones Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Difurocoumarocyclopentenone - Difurocoumarin - Benzopyran - 1-benzopyran - Coumaran - Anisole - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Fatty acid ester - Pyranone - Fatty acid methyl ester - Pyran - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Methyl ester - Tetrahydrofuran - Heteroaromatic compound - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Acetal - Ether - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as difurocoumarocyclopentenones. These are polycyclic aromatic compounds containing a cyclopenten-2-one ring fused to the coumarin moiety of the difurocoumarin skeleton.
External Descriptors
Not available