Structure Database (LMSD)
Common Name
7-O-Methyleriodictyol 3'-O-glucoside
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 7-O-Methyleriodictyol 3'-O-glucoside
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)
IPTSFJJEEHGVCY-YMTXFHFDSA-N
InChi (Click to copy)
InChI=1S/C22H24O11/c1-30-10-5-12(25)18-13(26)7-14(31-16(18)6-10)9-2-3-11(24)15(4-9)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1
SMILES (Click to copy)
C1C(OC)=CC2O[C@H](C3C=CC(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=3)CC(=O)C=2C=1O
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
5
Van der Waals Molecular Volume
396.13
Topological Polar Surface Area
179.51
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
11
logP
1.71
Molar Refractivity
112.53
Admin
Created at
-
Updated at
25th Sep 2021