Structure Database (LMSD)
Common Name
Kaempferol 7-O-sulfate
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Kaempferol 7-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)
XWYRTWOPMFPHKO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O9S/c16-8-3-1-7(2-4-8)15-14(19)13(18)12-10(17)5-9(6-11(12)23-15)24-25(20,21)22/h1-6,16-17,19H,(H,20,21,22)
SMILES (Click to copy)
C1(OS(=O)(=O)O)=CC2OC(C3C=CC(O)=CC=3)=C(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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Created at
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Updated at
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