Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.[O-][N+](=O)C1=CC=CC(=C1)[C@@H]1OC2=C(C=C(Cl)C=C2)C(=O)[C@H]1[Tl]

InChIKey

InChIKey=LEVKOZQJUOGIAS-HKPSJHCMSA-N

Formula

C29H25ClNO10S2Tl

Mass

851.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Not available

Direct Parent

Flavanones

Alternative Parents

Molecular Framework

Not available

Substituents

Flavanone - P-methylbenzenesulfonate - Chromone - Tosyl compound - 1-benzopyran - Benzenesulfonate - Benzopyran - Chromane - 1-sulfo,2-unsubstituted aromatic compound - Nitrobenzene - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - Toluene - Alkyl aryl ether - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic nitro compound - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxide - Organothalium compound - Organic oxygen compound - Organic zwitterion - Organic post-transition metal moeity - Organochloride - Organometallic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavanones. These are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.

External Descriptors

Not available

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