Structure Database (LMSD)

Common Name
Quercitrin
Systematic Name
Synonyms
  • Quercetin 3-O-rhamnopyranoside
LM ID
LMPK12112171
Formula
C21H20O11
Exact Mass
Calculate m/z
448.100565
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
OXGUCUVFOIWWQJ-JHPRLSDPSA-N
InChi (Click to copy)
InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(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)=C1

Other Databases

Wikipedia
Quercitrin
METABOLOMICS ID
FL5FACGS0006
PubChem CID
15939939

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 365.29
Topological Polar Surface Area 192.35
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 11
logP 2.82
Molar Refractivity 110.23

Admin

Created at
-
Updated at
5th May 2021