Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@@H]([C@H]2O)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@@]13C)OC(=O)C1=CC=CC=C1

InChIKey

InChIKey=KVSHMAMFEWWXDJ-PRTHUPMRSA-N

Formula

C38H40O11

Mass

672.727

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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 - Tetracarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Oxepane - Benzenoid - Monocyclic benzene moiety - Cyclitol or derivatives - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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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