Structure Database (LMSD)
Common Name
Kaempferol 3-O-sulfate
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Kaempferol 3-O-sulfate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
VOYLAWHADGDBIE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O9S/c16-8-3-1-7(2-4-8)14-15(24-25(20,21)22)13(19)12-10(18)5-9(17)6-11(12)23-14/h1-6,16-18H,(H,20,21,22)
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(OS(O)(=O)=O)C(=O)C=2C(O)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
3
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
274.78
Topological Polar Surface Area
154.50
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
9
logP
3.91
Molar Refractivity
85.11
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Updated at
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