Structure Database (LMSD)

Systematic Name
3,5,6,7,3',4',5'-Heptamethoxyflavone
Synonyms
LM ID
LMPK12110625
Formula
C22H24O9
Exact Mass
Calculate m/z
432.142035
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)
SHRSLVWLFNSTLK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H24O9/c1-24-13-8-11(9-14(25-2)19(13)27-4)18-22(30-7)17(23)16-12(31-18)10-15(26-3)20(28-5)21(16)29-6/h8-10H,1-7H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(OC)=C(OC)C=3)=C(OC)C(=O)C=2C(OC)=C1OC

Other Databases

CHEBI ID
196398
METABOLOMICS ID
FL5FEGNS0017
PubChem CID
389001

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 377.37
Topological Polar Surface Area 94.82
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 9
logP 4.42
Molar Refractivity 113.89

Admin

Created at
-
Updated at
-