Compound Identification
SMILES
OC1=CC2=C(C=C1)C=C(C(S)=O)C(=O)O2
InChIKey
InChIKey=OCNDWTNKNVAHKD-UHFFFAOYSA-N
Formula
C10H6O4S
Mass
222.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Hydroxycoumarins
- Level 5 7-hydroxycoumarins
-
Subclass
Hydroxycoumarins
-
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 Heteroaromatic compounds Lactones Carbothioic S-acids Carbodithioic acids Thiocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids and derivatives Alkylthiols Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Carbodithioic acid - Carbothioic s-acid - Lactone - Carboxylic acid derivative - Alkylthiol - Oxacycle - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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