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Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC=C1C1=C(O)C(=CC2=C1OC1=C(C3=CC=CC=C3C(O)=C1C1=CC=CC=C1C)C21OC(=O)C2=C(Cl)C=C(C(O)=O)C(Cl)=C12)C1=CN=CC=C1

InChIKey

InChIKey=STNXGPYTJBUXAN-UHFFFAOYSA-N

Formula

C44H27Cl2NO7

Mass

752.6

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Benzoxanthene - Isoflavonoid - Phenylnaphthalene - Naphthopyran - Xanthene - Dibenzopyran - Para_phthalic_acid - 1-naphthol - 2,5-dichlorobenzoic acid - Diaryl ether - Phthalide - Isobenzofuranone - 2-halobenzoic acid or derivatives - Benzopyran - Naphthalene - Benzofuranone - 1-benzopyran - Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Isocoumaran - Isobenzofuran - 1-carboxy-2-haloaromatic compound - Toluene - Phenol - Pyran - Pyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Ether - Organonitrogen compound - Organic oxide - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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