Compound Identification
SMILES
N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(I)=C2)C(I)=C1)C(O)=O
InChIKey
InChIKey=RGHRJBIKIYUHEV-SGPDEFQSSA-N
Formula
C21H19I4NO10
Mass
952.998
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Phenylalanine and derivatives
Alternative Parents
Phenolic glycosides O-glucuronides Diphenylethers Hexoses Phenylpropanoic acids Diarylethers O-glycosyl compounds L-alpha-amino acids Amphetamines and derivatives Phenoxy compounds Phenol ethers Beta hydroxy acids and derivatives Iodobenzenes Aralkylamines Oxanes Pyrans Dicarboxylic acids and derivatives Aryl iodides Secondary alcohols Amino acids Acetals Polyols Oxacyclic compounds Carboxylic acids Organic oxides Organoiodides Carbonyl compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Diphenylether - Glucuronic acid or derivatives - Hexose monosaccharide - 3-phenylpropanoic-acid - O-glycosyl compound - Glycosyl compound - Diaryl ether - Amphetamine or derivatives - L-alpha-amino acid - Alpha-amino acid - Phenoxy compound - Phenol ether - Halobenzene - Aralkylamine - Iodobenzene - Beta-hydroxy acid - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Benzenoid - Monosaccharide - Pyran - Oxane - Secondary alcohol - Amino acid - Acetal - Polyol - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Ether - Primary aliphatic amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Alcohol - Primary amine - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available