Structure Database (LMSD)

Systematic Name
5,7,2',4'-Tetrahydroxy-8,5'-dimethoxyflavone
Synonyms
LM ID
LMPK12111421
Formula
C17H14O8
Exact Mass
Calculate m/z
346.06887
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)
WBCLFMMAMMAOLY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O8/c1-23-14-3-7(8(18)4-9(14)19)13-6-11(21)15-10(20)5-12(22)16(24-2)17(15)25-13/h3-6,18-20,22H,1-2H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C(O)=CC(O)=C(OC)C=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FFLNS0004
PubChem CID
44258626

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 282.08
Topological Polar Surface Area 129.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 3.20
Molar Refractivity 87.79

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Updated at
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