Structure Database (LMSD)
Systematic Name
5,7-Dihydroxy-8,2'-dimethoxyflavone 7-glucuronide
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of
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)
OQYSDFZSKXKZQF-USFRMQJTSA-N
InChi (Click to copy)
InChI=1S/C23H22O12/c1-31-12-6-4-3-5-9(12)13-7-10(24)15-11(25)8-14(19(32-2)20(15)33-13)34-23-18(28)16(26)17(27)21(35-23)22(29)30/h3-8,16-18,21,23,25-28H,1-2H3,(H,29,30)/t16-,17-,18+,21-,23+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)=C(OC)C2OC(C3C(OC)=CC=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
35
Rings
4
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
406.04
Topological Polar Surface Area
187.42
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
12
logP
2.79
Molar Refractivity
120.30
Admin
Created at
-
Updated at
23rd Dec 2021