Compound Identification
SMILES
CC1(COC2=C(C=CC(OC(=O)C(N)CCC(O)=O)=C2)C1CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C1=CC=C(OC(=O)C(N)CCC(O)=O)C=C1
InChIKey
InChIKey=RNPOEFSPXBKVTD-UHFFFAOYSA-N
Formula
C40H53F5N2O10S
Mass
848.92
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
Isoflavans
- Level 5 Isoflavanols
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Subclass
Isoflavans
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Class
Isoflavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavanols
Alternative Parents
Glutamic acid and derivatives Tetracarboxylic acids and derivatives Alpha amino acid esters Phenol esters 1-benzopyrans Phenoxy compounds Fatty acid esters Amino fatty acids Alkyl aryl ethers Sulfoxides Carboxylic acid esters Amino acids Sulfinyl compounds Oxacyclic compounds Carboxylic acids Organopnictogen compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavanol - Glutamic acid or derivatives - Tetracarboxylic acid or derivatives - Alpha-amino acid ester - 1-benzopyran - Phenol ester - Benzopyran - Chromane - Alpha-amino acid or derivatives - Phenoxy compound - Fatty acid ester - Amino fatty acid - Alkyl aryl ether - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Amino acid - Sulfoxide - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Sulfinyl compound - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavanols. These are polycyclic compounds containing a hydroxylated isoflavan skeleton.
External Descriptors
Not available