Compound Identification
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(=CC1=CC(OC)=C(O)C(OC)=C1)C(=O)OCCCCCCCCCCCCCCCC
InChIKey
InChIKey=KABKTGGZWSOAOX-UHFFFAOYSA-N
Formula
C44H76O7
Mass
717.085
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
Fatty alcohol esters Cinnamic acid esters Methoxyphenols Dimethoxybenzenes Phenoxy compounds Anisoles Fatty acid esters Alkyl aryl ethers Dicarboxylic acids and derivatives Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Fatty alcohol ester - Cinnamic acid ester - Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Phenol - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - 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