Structure Database (LMSD)

Systematic Name
7-Hydroxy-3,5,6,8,3',4'-hexamethoxyflavone
Synonyms
LM ID
LMPK12113354
Formula
C21H22O9
Exact Mass
Calculate m/z
418.126385
Status
Active
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)
LIHVLVGTXLTMAQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-19(27-4)14(22)13-17(26-3)20(28-5)15(23)21(29-6)18(13)30-16/h7-9,23H,1-6H3
SMILES (Click to copy)
C12C(=O)C(OC)=C(C3C=CC(OC)=C(OC)C=3)OC=1C(OC)=C(O)C(OC)=C2OC

Other Databases

HMDB ID
HMDB0032785
CHEBI ID
191566
METABOLOMICS ID
FL5FGCNS0028
PubChem CID
9844898

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 360.07
Topological Polar Surface Area 105.82
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
logP 4.12
Molar Refractivity 109.00

Admin

Created at
-
Updated at
-