Structure Database (LMSD)

Systematic Name
5,8,3',4',5'-Pentahydroxy-3,7-dimethoxyflavone
Synonyms
LM ID
LMPK12113279
Formula
C17H14O9
Exact Mass
Calculate m/z
362.063785
Status
Active
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)
VRQATKHJSAQEAT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O9/c1-24-10-5-7(18)11-14(23)17(25-2)15(26-16(11)13(10)22)6-3-8(19)12(21)9(20)4-6/h3-5,18-22H,1-2H3
SMILES (Click to copy)
C12C(=O)C(OC)=C(C3C=C(O)C(O)=C(O)C=3)OC=1C(O)=C(OC)C=C2O

Other Databases

METABOLOMICS ID
FL5FFGNS0008
PubChem CID
10689999

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 290.87
Topological Polar Surface Area 149.82
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 9
logP 2.91
Molar Refractivity 89.46

Admin

Created at
-
Updated at
-