Compound Identification
SMILES
COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2[C@@H]3CC(=O)O[C@@H]3OC2=C1
InChIKey
InChIKey=RXPLTOIFPJWSPK-SKLCBMLGSA-N
Formula
C17H12O7
Mass
328.276
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
-
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
Difurocoumarins 1-benzopyrans Coumarans Anisoles Aryl alkyl ketones Pyranones and derivatives Alkyl aryl ethers Gamma butyrolactones Heteroaromatic compounds Oxolanes Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Hydrocarbon derivatives Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Difurocoumarocyclopentenone - Difurocoumarin - Benzopyran - 1-benzopyran - Coumaran - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyranone - Gamma butyrolactone - Benzenoid - Pyran - Heteroaromatic compound - Oxolane - Ketone - Carboxylic acid ester - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Aldehyde - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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