Structure Database (LMSD)
Common Name
Grantiodin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Grantiodin
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)
UUTKODMHZDAAAM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O8/c1-23-10-6-7-12(24-2)11(8-10)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C(OC)=CC=C(OC)C=3)=C(OC)C(=O)C=2C(O)=C1OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
3
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
333.98
Topological Polar Surface Area
96.59
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
8
logP
4.11
Molar Refractivity
102.45
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Updated at
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