Compound Identification
SMILES
CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)C3=CC=CO3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@](C)(O)[C@@]13OC2(C)C)OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=ULHAEQMYHVOPAQ-QKFRLBDFSA-N
Formula
C31H36O11
Mass
584.618
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 Furoic acid esters Benzoyl derivatives Oxepanes Cyclitols and derivatives Tetrahydrofurans Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Agarofuran - Tetracarboxylic acid or derivatives - Benzoate ester - Furoic acid ester - Benzoic acid or derivatives - Furoic acid or derivatives - Benzoyl - Oxepane - Benzenoid - Monocyclic benzene moiety - Cyclitol or derivatives - Heteroaromatic compound - Tetrahydrofuran - Tertiary alcohol - Furan - Cyclic 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