Structure Database (LMSD)
Common Name
Quercetin 3'-O-sulfate
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Quercetin 3'-O-sulfate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
OSCLBBUATYLBQA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=C(OS(O)(=O)=O)C=3)=C(O)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
283.57
Topological Polar Surface Area
174.73
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
10
logP
3.62
Molar Refractivity
86.77
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Updated at
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