Structure Database (LMSD)

Common Name
Kaempferol 4'-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12111854
Formula
C21H20O10
Exact Mass
Calculate m/z
432.10565
Status
Curated
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)
KTZDZZQLJUYTES-GKLNBGJFSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-4-2-9(3-5-11)20-18(27)16(25)14-12(23)6-10(22)7-13(14)31-20/h2-8,15,17,19,21-24,26-28H,1H3/t8-,15-,17+,19+,21-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)=CC=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FAAGS0018
PubChem CID
102519401

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 356.50
Topological Polar Surface Area 172.12
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 3.11
Molar Refractivity 108.57

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Created at
-
Updated at
5th Jan 2022