Compound Identification
SMILES
C[C@@H]1C[C@H](OC(=O)C2=CN=CC=C2)[C@H](OC(C)=O)[C@@]2(C)[C@H](C[C@@H]3[C@@H](OC(=O)C4=CN=CC=C4)[C@]12OC3(C)C)OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=FVMMOSQBOWPRQW-DMAIFBPDSA-N
Formula
C36H38N2O9
Mass
642.705
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
Tetracarboxylic acids and derivatives Benzoic acid esters Pyridinecarboxylic acids Benzoyl derivatives Oxepanes Tetrahydrofurans Heteroaromatic compounds Carboxylic acid esters Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Agarofuran - Tetracarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzoyl - Oxepane - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Tetrahydrofuran - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - 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