Structure Database (LMSD)
Common Name
Kievitone
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Kievitone
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)
MERHMOCEIBOOMA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OCC(C3=CC=C(O)C=C3O)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
26
Rings
3
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
327.30
Topological Polar Surface Area
109.29
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
3.66
Molar Refractivity
95.73
Admin
Created at
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Updated at
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