Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-3,6,8,3',4'-pentamethoxyflavone
Synonyms
LM ID
LMPK12113353
Formula
C20H20O9
Exact Mass
Calculate m/z
404.110735
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)
WQBRHVZCPYMWIG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O9/c1-24-10-7-6-9(8-11(10)25-2)16-19(27-4)14(22)12-13(21)18(26-3)15(23)20(28-5)17(12)29-16/h6-8,21,23H,1-5H3
SMILES (Click to copy)
C12C(=O)C(OC)=C(C3C=CC(OC)=C(OC)C=3)OC=1C(OC)=C(O)C(OC)=C2O

Other Databases

HMDB ID
HMDB0136121
METABOLOMICS ID
FL5FGCNS0027
PubChem CID
5320478

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 342.77
Topological Polar Surface Area 116.82
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 9
logP 3.81
Molar Refractivity 104.12

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Updated at
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