Structure Database (LMSD)

Systematic Name
3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone
Synonyms
LM ID
LMPK12113329
Formula
C17H14O9
Exact Mass
Calculate m/z
362.063785
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)
KSJBARLBEFNDQZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O9/c1-24-16-11(21)9-10(20)12(22)14(6-3-4-7(18)8(19)5-6)26-15(9)17(25-2)13(16)23/h3-5,18-19,21-23H,1-2H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FGCNS0003
PubChem CID
14483219

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

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Updated at
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