Structure Database (LMSD)

Common Name
6-Methoxykaempferol 3-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12112832
Formula
C22H22O11
Exact Mass
Calculate m/z
462.116215
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)
APJIFUZPDHNQGN-OELQVNMVSA-N
InChi (Click to copy)
InChI=1S/C22H22O11/c1-8-14(25)17(28)18(29)22(31-8)33-21-16(27)13-12(7-11(24)20(30-2)15(13)26)32-19(21)9-3-5-10(23)6-4-9/h3-8,14,17-18,22-26,28-29H,1-2H3/t8-,14-,17+,18+,22-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FEAGS0006
PubChem CID
101548887

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 382.59
Topological Polar Surface Area 181.35
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 3.12
Molar Refractivity 115.12

Admin

Created at
-
Updated at
21st Dec 2021