Compound Identification
SMILES
COC1=C2CCC(=O)OC2=CC2=C1CCO2
InChIKey
InChIKey=QEAUXJUWKKXXIW-UHFFFAOYSA-N
Formula
C12H12O4
Mass
220.224
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Furanocoumarins
- Level 5 Linear furanocoumarins
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Subclass
Furanocoumarins
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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
Linear furanocoumarins
Alternative Parents
3,4-dihydrocoumarins 1-benzopyrans Coumarans Anisoles Alkyl aryl ethers Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear furanocoumarin - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Coumaran - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring linearly fused to a coumarin.
External Descriptors
Not available