Structure Database (LMSD)

Systematic Name
3,5,6-Trimethoxyfurano[2,3:7,8]flavone
Synonyms
LM ID
LMPK12112800
Formula
C20H16O6
Exact Mass
Calculate m/z
352.09469
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)
DESYRLMOSLWIGY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O6/c1-22-18-13-14(21)19(23-2)15(11-7-5-4-6-8-11)26-16(13)12-9-10-25-17(12)20(18)24-3/h4-10H,1-3H3
SMILES (Click to copy)
C12OC=CC=1C1OC(C3C=CC=CC=3)=C(OC)C(=O)C=1C(OC)=C2OC

Other Databases

METABOLOMICS ID
FL5FE9NF0001
PubChem CID
631791

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 4
Rotatable Bonds 4
Van der Waals Molecular Volume 290.50
Topological Polar Surface Area 71.04
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 5.13
Molar Refractivity 97.46

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