Structure Database (LMSD)
Common Name
Eriodictyol 7-glucuronide
Systematic Name
Synonyms
3D model of Eriodictyol 7-glucuronide
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)
YSORAXGDTRAEMV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-5,13,16-19,21-24,26-28H,6H2,(H,29,30)
SMILES (Click to copy)
C1C(OC2OC(C(O)=O)C(O)C(O)C2O)=CC2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C=1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
4
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
384.98
Topological Polar Surface Area
207.58
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
12
logP
1.21
Molar Refractivity
107.70
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Updated at
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