Compound Identification
SMILES
CC1=C(Br)C(=O)OC2=C1C=CC(O)=C2CN[C@@H](CO)C(O)=O
InChIKey
InChIKey=ZVHXWZIETYTPJI-VIFPVBQESA-N
Formula
C14H14BrNO6
Mass
372.171
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 Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Serine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Aralkylamine - Beta-hydroxy acid - Hydroxy acid - Aryl bromide - Pyran - Aryl halide - Benzenoid - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Lactone - Oxacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Amine - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - 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