Compound Identification
SMILES
COC(=O)C(\NC=O)=C(/Br)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=QFJVVAAPYXOGEB-ZHACJKMWSA-N
Formula
C12H10BrNO5
Mass
328.118
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid esters N-formyl-alpha amino acids Benzodioxoles Fatty acid esters Benzenoids Vinylogous halides Enoate esters Methyl esters Secondary carboxylic acid amides Acetals Vinyl bromides Oxacyclic compounds Bromoalkenes Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - N-formyl-alpha-amino acid - N-formyl-alpha amino acid or derivatives - Cinnamic acid ester - Alpha-amino acid or derivatives - Benzodioxole - Fatty acid ester - Fatty acyl - Benzenoid - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl bromide - Vinyl halide - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available