Structure Database (LMSD)

Common Name
Kanzakiflavone 1
Systematic Name
Synonyms
LM ID
LMPK12111452
Formula
C17H12O7
Exact Mass
Calculate m/z
328.058305
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)
ZVMXYXZXCSMOLC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H12O7/c1-21-9-4-2-8(3-5-9)11-6-10(18)12-13(19)16-17(23-7-22-16)14(20)15(12)24-11/h2-6,19-20H,7H2,1H3
SMILES (Click to copy)
C12OCOC1=C(O)C1C(=O)C=C(C3C=CC(OC)=CC=3)OC=1C=2O

Other Databases

METABOLOMICS ID
FL3FGANS0011
PubChem CID
44258636

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 260.93
Topological Polar Surface Area 102.50
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 3.51
Molar Refractivity 84.03

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Updated at
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