Structure Database (LMSD)

Systematic Name
7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone
Synonyms
LM ID
LMPK12113264
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)
KNEPLXVAXBQPGZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O8/c1-23-11-6-10(20)13(21)16-12(11)14(22)17(24-2)15(25-16)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3
SMILES (Click to copy)
C12C(=O)C(OC)=C(C3C=CC(O)=C(O)C=3)OC=1C(O)=C(O)C=C2OC

Other Databases

METABOLOMICS ID
FL5FFCNS0034
PubChem CID
5323591

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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