Structure Database (LMSD)

Systematic Name
5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone
Synonyms
LM ID
LMPK12113286
Formula
C20H20O9
Exact Mass
Calculate m/z
404.110735
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)
AESOWAJOPILJJE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O9/c1-24-11-7-6-9(16(26-3)18(11)27-4)17-20(28-5)15(23)13-10(21)8-12(25-2)14(22)19(13)29-17/h6-8,21-22H,1-5H3
SMILES (Click to copy)
C1(OC)=C(O)C2OC(C3C(OC)=C(OC)C(OC)=CC=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FFLNS0004
PubChem CID
44260042

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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