Structure Database (LMSD)
Common Name
Kaempferol 8-C-sulfate
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Kaempferol 8-C-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)
LXSRUEIBKBIXFV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O9S/c16-7-3-1-6(2-4-7)13-12(20)11(19)10-8(17)5-9(18)15(14(10)24-13)25(21,22)23/h1-5,16-18,20H,(H,21,22,23)
SMILES (Click to copy)
C1C=C(O)C=CC=1C1=C(O)C(=O)C2C(O)=CC(O)=C(S(O)(=O)=O)C=2O1
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
2
Van der Waals Molecular Volume
274.78
Topological Polar Surface Area
165.50
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
9
logP
3.68
Molar Refractivity
84.41
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Created at
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Updated at
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