Structure Database (LMSD)

Common Name
6-C-beta-D-Xylopyranosylluteolin
Systematic Name
Synonyms
  • 6-C-Xylosylluteolin
LM ID
LMPK12110471
Formula
C20H18O10
Exact Mass
Calculate m/z
418.09
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)
ZVCCGSLELLZAOZ-BFYTVJRJSA-N
InChi (Click to copy)
InChI=1S/C20H18O10/c21-8-2-1-7(3-9(8)22)13-4-10(23)15-14(30-13)5-11(24)16(18(15)27)20-19(28)17(26)12(25)6-29-20/h1-5,12,17,19-22,24-28H,6H2/t12-,17+,19-,20+/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)CO1

Other Databases

METABOLOMICS ID
FL3FACCS0003
PubChem CID
44257908

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 339.20
Topological Polar Surface Area 183.12
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 10
logP 2.48
Molar Refractivity 103.43

Admin

Created at
-
Updated at
12th Apr 2022