Compound Identification
SMILES
OC[C@H](NCC1=C(O)C=CC2=C1OC(=O)C(Br)=C2)C(O)=O
InChIKey
InChIKey=QXLMVBJVJVUNMI-VIFPVBQESA-N
Formula
C13H12BrNO6
Mass
358.144
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
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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
Serine and derivatives 1-benzopyrans L-alpha-amino acids Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Beta hydroxy acids and derivatives Aryl bromides Heteroaromatic compounds Amino acids Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Serine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - L-alpha-amino acid - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Phenol - Pyranone - Aralkylamine - Benzenoid - Pyran - Aryl bromide - Aryl halide - Hydroxy acid - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Lactone - Secondary amine - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Alcohol - Organic oxide - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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