Compound Identification
SMILES
CCC(C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(COC(C)=O)C(OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]2(O[C@@]3(C)COC(=O)C2=CC=CC=C2)[C@@]1(C)O
InChIKey
InChIKey=OLRQJCQEXBUYPY-KTFJRKCLSA-N
Formula
C37H46O17
Mass
762.758
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 Benzoyl derivatives Oxepanes Fatty acid esters Alpha-acyloxy ketones Monosaccharides Cyclitols and derivatives Tetrahydrofurans Tertiary alcohols Ketones Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Agarofuran - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Oxepane - Alpha-acyloxy ketone - Benzenoid - Fatty acyl - Cyclitol or derivatives - Monocyclic benzene moiety - Monosaccharide - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Ketone - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organooxygen compound - 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