Compound Identification
SMILES
C[C@@]12CCC(=O)C3=C1[C@@](O)(O[C@H]3O)C(=O)c1cc3c(O)ccc(OS(O)(=O)=O)c3cc21
InChIKey
InChIKey=QTDYRFPLHKXDHZ-HSALFYBXSA-N
Formula
C20H16O10S
Mass
448.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Sesquiterpenoids
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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
Sesquiterpenoids
Alternative Parents
Phenanthrenes and derivatives Naphthofurans Naphthols and derivatives Butyrophenones Tetralins Arylsulfates Aryl alkyl ketones Cyclohexenones 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Hemiketals Beta-hydroxy ketones Alpha-branched alpha,beta-unsaturated ketones Acyloins Enones Dihydrofurans Alpha-hydroxy ketones Acryloyl compounds Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sesquiterpenoid - Phenanthrene - Naphthofuran - 1-naphthol - Butyrophenone - Arylsulfate - Tetralin - Naphthalene - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Hemiketal - Beta-hydroxy ketone - Acyloin - Alpha,beta-unsaturated ketone - Organic sulfuric acid or derivatives - Enone - Dihydrofuran - Alpha-hydroxy ketone - Acryloyl-group - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors
Not available