Structure Database (LMSD)

Systematic Name
3,4'-Dimethoxyfurano[2,3:7,8]flavone
Synonyms
LM ID
LMPK12111551
Formula
C19H14O5
Exact Mass
Calculate m/z
322.084125
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
CWSZCOURUCZUKO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H14O5/c1-21-12-5-3-11(4-6-12)17-19(22-2)16(20)14-7-8-15-13(9-10-23-15)18(14)24-17/h3-10H,1-2H3
SMILES (Click to copy)
C12OC=CC=1C1OC(C3C=CC(OC)=CC=3)=C(OC)C(=O)C=1C=C2

Other Databases

METABOLOMICS ID
FL5F1ANF0001
PubChem CID
12735893

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 4
Rotatable Bonds 3
Van der Waals Molecular Volume 264.41
Topological Polar Surface Area 61.81
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 5.12
Molar Refractivity 90.90

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