Structure Database (LMSD)

Common Name
8-C-Rhamnosylgenkwanin
Systematic Name
Synonyms
LM ID
LMPK12110974
Formula
C22H22O9
Exact Mass
Calculate m/z
430.126385
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)
KIWXLHWYSZKGIL-GMXZXDKESA-N
InChi (Click to copy)
InChI=1S/C22H22O9/c1-9-18(26)19(27)20(28)22(30-9)17-15(29-2)8-13(25)16-12(24)7-14(31-21(16)17)10-3-5-11(23)6-4-10/h3-9,18-20,22-23,25-28H,1-2H3/t9-,18-,19+,20+,22-/m0/s1
SMILES (Click to copy)
C1(OC)=C([C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FCACS0005
PubChem CID
44258318

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 365.01
Topological Polar Surface Area 151.89
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 9
logP 3.47
Molar Refractivity 111.27

Admin

Created at
-
Updated at
6th Jan 2022