Compound Identification
SMILES
COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2[C@H]3CCO[C@@H]3OC2=C1
InChIKey
InChIKey=WWSYXEZEXMQWHT-CQLKUDPESA-N
Formula
C17H14O6
Mass
314.293
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Furanocoumarins
-
Level 5
Angular furanocoumarins
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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 Aryl alkyl ketones Anisoles Pyranones and derivatives Alkyl aryl ethers Oxolanes Heteroaromatic compounds Lactones Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Difurocoumarocyclopentenone - Difurocoumarin - Benzopyran - 1-benzopyran - Coumaran - Anisole - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Oxolane - Heteroaromatic compound - Lactone - Ketone - Oxacycle - Ether - Acetal - Organoheterocyclic compound - Aldehyde - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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