Structure Database (LMSD)
Common Name
Eriodictin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Eriodictin
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)
JMVXRLMOIOTWSB-OODPVRRFSA-N
InChi (Click to copy)
InChI=1S/C21H22O10/c1-8-18(26)19(27)20(28)21(29-8)30-10-5-13(24)17-14(25)7-15(31-16(17)6-10)9-2-3-11(22)12(23)4-9/h2-6,8,15,18-24,26-28H,7H2,1H3/t8-,15?,18-,19+,20+,21-/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2OC(C3C=C(O)C(O)=CC=3)CC(=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
31
Rings
4
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
370.04
Topological Polar Surface Area
170.28
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
10
logP
2.15
Molar Refractivity
105.74
Admin
Created at
-
Updated at
14th Oct 2021