Structure Database (LMSD)

Systematic Name
3,7-Dihydroxy-5,4'-dimethoxyflavone
Synonyms
LM ID
LMPK12112540
Formula
C17H14O6
Exact Mass
Calculate m/z
314.07904
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)
SHSYFAIQGXUITD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)17-16(20)15(19)14-12(22-2)7-10(18)8-13(14)23-17/h3-8,18,20H,1-2H3
SMILES (Click to copy)
C12C(=O)C(O)=C(C3C=CC(OC)=CC=3)OC=1C=C(O)C=C2OC

Other Databases

METABOLOMICS ID
FL5FBBNS0001
PubChem CID
44259527

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 264.50
Topological Polar Surface Area 89.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 3.79
Molar Refractivity 84.46

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Updated at
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