Compound Identification
SMILES
CC(=O)OC1CCC(C)(O)C23OC(C)(C)C(CC(OC(=O)C4=CC=CC=C4)C12COC(=O)\C=C\C1=CC=CC=C1)C3O
InChIKey
InChIKey=HFAVLOIYMYQWNG-FOCLMDBBSA-N
Formula
C33H38O9
Mass
578.658
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
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
Cinnamic acid esters Benzoic acid esters Tricarboxylic acids and derivatives Styrenes Benzoyl derivatives Oxepanes Fatty acid esters Tetrahydrofurans Tertiary alcohols Enoate esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Agarofuran - Cinnamic acid or derivatives - Cinnamic acid ester - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Styrene - Fatty acid ester - Oxepane - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Enoate ester - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Alcohol - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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