Compound Identification
SMILES
CCC1=NN=C(O1)S\C(=C\C1=CC=CC=C1OC)C([O-])=O
InChIKey
InChIKey=JCBGAXZJDRXZGR-DHZHZOJOSA-M
Formula
C14H13N2O4S
Mass
305.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Level 5
Coumaric acids and derivatives
- Level 6 Coumaric acids
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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
Coumaric acids and derivatives
Direct Parent
Coumaric acids
Alternative Parents
Cinnamic acids Phenoxy compounds Anisoles Methoxybenzenes Aryl thioethers Alkyl aryl ethers 1,3,4-oxadiazoles Heteroaromatic compounds Thioenol ethers Carboxylic acid salts Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid - Coumaric acid - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxylic acid salt - Thioenolether - Sulfenyl compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids. These are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available