Structure Database (LMSD)

Common Name
6-Methoxykaempferol 7-glucoside
Systematic Name
Synonyms
LM ID
LMPK12112834
Formula
C22H22O12
Exact Mass
Calculate m/z
478.11113
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
RVCQJMUKRAYQKT-LMTLLXHESA-N
InChi (Click to copy)
InChI=1S/C22H22O12/c1-31-21-11(33-22-19(30)17(28)14(25)12(7-23)34-22)6-10-13(16(21)27)15(26)18(29)20(32-10)8-2-4-9(24)5-3-8/h2-6,12,14,17,19,22-25,27-30H,7H2,1H3/t12-,14-,17+,19-,22-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FEAGS0008
PubChem CID
5488508

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 391.38
Topological Polar Surface Area 201.58
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 12
logP 2.38
Molar Refractivity 117.02

Admin

Created at
-
Updated at
25th Nov 2021