Structure Database (LMSD)
Common Name
Kanugin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Kanugin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
HZHNYQLMLQAKSH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H16O7/c1-21-11-4-5-12-13(8-11)26-17(19(23-3)16(12)20)10-6-14(22-2)18-15(7-10)24-9-25-18/h4-8H,9H2,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C4OCOC=4C=3)=C(OC)C(=O)C=2C=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
4
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
295.53
Topological Polar Surface Area
80.50
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
logP
4.11
Molar Refractivity
93.81
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Updated at
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