Compound Identification
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.COCCC1=CC(Br)=C(OCC(O)CNCCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=NZSPSIHHIHXUNJ-LREBCSMRSA-N
Formula
C24H32BrNO9
Mass
558.422
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
- Subclass Tyrosols and derivatives
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Tyrosols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tyrosols and derivatives
Alternative Parents
Phenethylamines Phenoxy compounds Phenol ethers Sugar acids and derivatives Short-chain hydroxy acids and derivatives Alkyl aryl ethers Aralkylamines Beta hydroxy acids and derivatives Bromobenzenes Alpha hydroxy acids and derivatives Aryl bromides Monosaccharides Dicarboxylic acids and derivatives Fatty acids and conjugates 1,2-aminoalcohols Secondary alcohols Carboxylic acids Dialkyl ethers Dialkylamines Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Tyrosol derivative - Phenethylamine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Bromobenzene - Halobenzene - Aralkylamine - Sugar acid - Short-chain hydroxy acid - Alpha-hydroxy acid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Fatty acid - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Alcohol - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as tyrosols and derivatives. These are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group.
External Descriptors
Not available