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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Sesquiterpenoids
- Level 5 Agarofurans
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Subclass
Sesquiterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Agarofurans
Alternative Parents
Benzoic acid esters Tricarboxylic acids and derivatives Benzylethers Benzoyl derivatives Oxepanes Fatty acid esters Cyclitols and derivatives Tetrahydrofurans Tertiary alcohols Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides
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