Structure Database (LMSD)

Systematic Name
5,7,8-Trihydroxy-3,6-dimethoxyflavone
Synonyms
LM ID
LMPK12113299
Formula
C17H14O7
Exact Mass
Calculate m/z
330.073955
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)
CCHPJCPXKXVLAS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-16-10(18)9-11(19)17(23-2)14(8-6-4-3-5-7-8)24-15(9)12(20)13(16)21/h3-7,18,20-21H,1-2H3
SMILES (Click to copy)
C12C(=O)C(OC)=C(C3C=CC=CC=3)OC=1C(O)=C(O)C(OC)=C2O

Other Databases

METABOLOMICS ID
FL5FG9NS0008
PubChem CID
44260048

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 273.29
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.49
Molar Refractivity 86.13

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Updated at
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