Structure Database (LMSD)

Common Name
6-Hydroxykaempferol 3,5,7,4'-tetramethyl ether 6-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12112849
Formula
C25H28O11
Exact Mass
Calculate m/z
504.163165
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)
PJKTVOKVIPHPQU-BGYNXSMXSA-N
InChi (Click to copy)
InChI=1S/C25H28O11/c1-11-17(26)19(28)20(29)25(34-11)36-22-15(31-3)10-14-16(23(22)32-4)18(27)24(33-5)21(35-14)12-6-8-13(30-2)9-7-12/h6-11,17,19-20,25-26,28-29H,1-5H3/t11-,17-,19+,20+,25-/m0/s1
SMILES (Click to copy)
C1C=C(OC)C=CC=1C1=C(OC)C(=O)C2C(OC)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(OC)=CC=2O1

Other Databases

METABOLOMICS ID
FL5FEAGS0024
PubChem CID
102317313

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 434.49
Topological Polar Surface Area 148.35
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 11
logP 4.03
Molar Refractivity 129.78

Admin

Created at
-
Updated at
22nd Dec 2021