Compound Identification
SMILES
COC1=C(OC)C(=CC(\C=C\C([O-])=O)=C1)S(=O)(=O)NC1=C(F)C=CC(=C1)S(C)(=O)=O
InChIKey
InChIKey=RUHDZRUBRYVXLC-QPJJXVBHSA-M
Formula
C18H17FNO8S2
Mass
458.45
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
-
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 acids Sulfanilides Benzenesulfonamides Dimethoxybenzenes Benzenesulfonyl compounds Anisoles Styrenes Phenoxy compounds Alkyl aryl ethers Fluorobenzenes Organosulfonamides Aryl fluorides Aminosulfonyl compounds Sulfones Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds Organonitrogen compounds Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid - Coumaric acid or derivatives - Sulfanilide - O-dimethoxybenzene - Dimethoxybenzene - Benzenesulfonamide - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Anisole - Styrene - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Organosulfonic acid amide - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Carboxylic acid salt - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic homomonocyclic 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