Compound Identification
SMILES
COC1=C(OC(F)F)C=CC(C=C(SC2=NN=C(O2)C2=CC=C(F)C=C2)C(O)=O)=C1
InChIKey
InChIKey=IHZDVJKGNQHOKK-UHFFFAOYSA-N
Formula
C19H13F3N2O5S
Mass
438.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Class
Cinnamic acids and derivatives
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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 Anisoles Phenoxy compounds Aryl thioethers Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl fluorides 1,3,4-oxadiazoles Heteroaromatic compounds Thioenol ethers Carboxylic acids Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organofluorides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid - Coumaric acid or derivatives - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Aryl halide - Azole - Oxadiazole - 1,3,4-oxadiazole - Heteroaromatic compound - Thioenolether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Ether - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aromatic heteromonocyclic 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