Compound Identification
SMILES
COC1=C2C3=C(C(=O)C[C@@H]3OC(=O)CCC(O)=O)C(=O)OC2=C2[C@H]3C=CO[C@@H]3OC2=C1
InChIKey
InChIKey=VKKLXWDQQNCHAY-KJLUZHGOSA-N
Formula
C21H16O10
Mass
428.349
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
-
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
1-benzopyrans Coumarans Anisoles Aryl alkyl ketones Pyranones and derivatives Alkyl aryl ethers Fatty acid esters Dicarboxylic acids and derivatives Heteroaromatic compounds Dihydrofurans Carboxylic acid esters Lactones Oxacyclic compounds Carboxylic acids Acetals Hydrocarbon derivatives Organic oxides Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Difurocoumarocyclopentenone - Benzopyran - 1-benzopyran - Coumaran - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyranone - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Dihydrofuran - Carboxylic acid ester - Lactone - Ketone - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Acetal - Carboxylic acid derivative - Ether - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aldehyde - Organic oxygen 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