Compound Identification
SMILES
CC(C)(C)C1=CC(CCC(O)=O)=CC(=C1O)C(C)(C)C.CC(C)(C)C1=CC(CCC(O)=O)=CC(=C1O)C(C)(C)C.CCCCCCCCCCCCCCCCCCN(CCO)CCO
InChIKey
InChIKey=LPYVTIKRMRBKQQ-UHFFFAOYSA-N
Formula
C56H99NO8
Mass
914.407
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Phenylpropanes Phenols Trialkylamines 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - Phenylpropane - Phenol - Monocyclic benzene moiety - Benzenoid - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkanolamine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Amine - Primary alcohol - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available