Structure Database (LMSD)

Common Name
Kanzakiflavone 2
Systematic Name
Synonyms
LM ID
LMPK12111168
Formula
C16H10O6
Exact Mass
Calculate m/z
298.04774
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)
RNBICTMAHCPSHX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H10O6/c17-9-3-1-8(2-4-9)11-5-10(18)14-12(22-11)6-13-16(15(14)19)21-7-20-13/h1-6,17,19H,7H2
SMILES (Click to copy)
C12OCOC1=C(O)C1C(=O)C=C(C3C=CC(O)=CC=3)OC=1C=2

Other Databases

METABOLOMICS ID
FL3FEANS0010
PubChem CID
44258472

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 234.84
Topological Polar Surface Area 93.27
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 3.50
Molar Refractivity 77.48

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