Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavanols

Alternative Parents

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

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