Compound Identification
SMILES
CC1=C(CCC(N)=O)C(=O)OC2=C1C=CC(O)=C2
InChIKey
InChIKey=KXDRYBNDWROSKU-UHFFFAOYSA-N
Formula
C13H13NO4
Mass
247.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Hydroxycoumarins
- Level 5 7-hydroxycoumarins
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Subclass
Hydroxycoumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Hydroxycoumarins
Intermediate Tree Nodes
Not available
Direct Parent
7-hydroxycoumarins
Alternative Parents
1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Fatty amides Heteroaromatic compounds Primary carboxylic acid amides Lactones Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Fatty amide - Pyran - Benzenoid - Fatty acyl - Heteroaromatic compound - Primary carboxylic acid amide - Lactone - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
External Descriptors
Not available