Compound Identification
SMILES
NC(CCON=C(N)N)C(O)=O.OC(=O)C1(CCC2=CC=CC=C2O1)C1=CC=CC=C1
InChIKey
InChIKey=ZZZRNEMRVKTYKZ-UHFFFAOYSA-N
Formula
C21H26N4O6
Mass
430.461
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
- Subclass Flavans
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Flavans
Alternative Parents
Alpha amino acids 1-benzopyrans Alkyl aryl ethers Fatty acids and conjugates Benzene and substituted derivatives Guanidines Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Flavan - Alpha-amino acid - Alpha-amino acid or derivatives - Chromane - 1-benzopyran - Benzopyran - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acid - Benzenoid - Amino acid - Amino acid or derivatives - Guanidine - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Primary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavans. These are compounds containing a flavan moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.
External Descriptors
Not available