Structure Database (LMSD)
Common Name
Aureusidin 6-glucuronide
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Aureusidin 6-glucuronide
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)
FEUCUHLYVPMSHF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)4-13-15(25)14-11(24)5-8(6-12(14)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)
SMILES (Click to copy)
C12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C=C(OC1OC(C(O)=O)C(O)C(O)C1O)C=C2O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
4
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
382.34
Topological Polar Surface Area
207.58
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
12
logP
1.12
Molar Refractivity
108.32
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Created at
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Updated at
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