Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)CNC(C(C)C)C([O-])=O
InChIKey
InChIKey=ZBSUHDJVHYEPGV-UHFFFAOYSA-M
Formula
C16H22NO6
Mass
324.354
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 Valine and derivatives
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Level 6
Alpha amino acids and derivatives
-
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
Valine and derivatives
Alternative Parents
Alkyl-phenylketones Alpha amino acids Phenoxy compounds Methoxybenzenes Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alpha-amino ketones Amino acids Carboxylic acid salts Dialkylamines Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Valine or derivatives - Alpha-amino acid - Phenylketone - Benzoyl - Phenol ether - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Anisole - Phenoxy compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-aminoketone - Ketone - Carboxylic acid salt - Amino acid - Ether - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available