Compound Identification
SMILES
COC1=C(O)C=C(\C=C\C(=O)O[C@H](C(O)=O)[C@](O)(CC2=CC=C(O)C=C2)C(O)=O)C=C1
InChIKey
InChIKey=WBGMKAAMRFEBHK-PZTMCFHLSA-N
Formula
C21H20O10
Mass
432.381
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
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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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 Phenylpropanoic acids Methoxyphenols Tricarboxylic acids and derivatives Anisoles Methoxybenzenes Styrenes Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Alpha hydroxy acids and derivatives Monosaccharides Enoate esters Tertiary alcohols Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid ester - Coumaric acid or derivatives - 3-phenylpropanoic-acid - Methoxyphenol - Tricarboxylic acid or derivatives - Phenol ether - Anisole - Methoxybenzene - Styrene - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Alpha-hydroxy acid - Fatty acyl - Monosaccharide - Benzenoid - Monocyclic benzene moiety - Hydroxy acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Ether - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - 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