Structure Database (LMSD)

Common Name
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide
Systematic Name
Synonyms
LM ID
LMPK12111385
Formula
C22H20O13
Exact Mass
Calculate m/z
492.090395
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
CUIJPIJRAYLBAL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H20O13/c1-32-12-3-2-7(4-8(12)23)13-6-10(25)14-9(24)5-11(26)18(19(14)33-13)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-24,26-29H,1H3,(H,30,31)
SMILES (Click to copy)
C1(O)=C(OC2OC(C(O)=O)C(O)C(O)C2O)C2OC(C3C=C(O)C(OC)=CC=3)=CC(=O)C=2C(O)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

HMDB ID
HMDB0038772
METABOLOMICS ID
FL3FFCGS0016
PubChem CID
14887606

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 397.53
Topological Polar Surface Area 218.65
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 13
logP 2.19
Molar Refractivity 117.08

Admin

Created at
-
Updated at
-