Structure Database (LMSD)

Systematic Name
8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
Synonyms
LM ID
LMPK12113280
Formula
C21H22O9
Exact Mass
Calculate m/z
418.126385
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)
VZZSHWGQMLXLPF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O9/c1-24-11-9-12(25-2)16(22)20-15(11)17(23)21(29-6)18(30-20)10-7-13(26-3)19(28-5)14(8-10)27-4/h7-9,22H,1-6H3
SMILES (Click to copy)
C12C(=O)C(OC)=C(C3C=C(OC)C(OC)=C(OC)C=3)OC=1C(O)=C(OC)C=C2OC

Other Databases

CHEBI ID
166623
METABOLOMICS ID
FL5FFGNS0009
PubChem CID
15382687

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

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Updated at
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