Structure Database (LMSD)

Common Name
Kaempferol 8-C-sulfate
Systematic Name
Synonyms
LM ID
LMPK12112001
Formula
C15H10O9S
Exact Mass
Calculate m/z
366.004557
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

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

METABOLOMICS ID
FL5FAANSS005
PubChem CID
10500456

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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Updated at
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