Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(=O)OC[C@@]12[C@@H](OCC3=CC=CC=C3)[C@@H](O)C[C@](C)(O)[C@]11OC(C)(C)[C@@H]([C@H]1O)[C@H](OC(C)=O)[C@H]2OC(=O)C1=CC=CC=C1

InChIKey

InChIKey=CIMCPSBOUJPJJK-AQQZEIJRSA-N

Formula

C36H46O11

Mass

654.753

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Agarofurans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Agarofuran - Benzoate ester - Benzoic acid or derivatives - Benzylether - Tricarboxylic acid or derivatives - Benzoyl - Oxepane - Fatty acid ester - Benzenoid - Fatty acyl - Cyclitol or derivatives - Monocyclic benzene moiety - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Polyol - Oxacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Carbonyl group - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as agarofurans. These are organic compounds containing an agarofuran moiety( a three-ring system, with core fragment oxatricyclo[7.2.1.0^{1,6}]dodec-2-ene).

External Descriptors

Not available

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