Structure Database (LMSD)

Common Name
Sanaganone
Systematic Name
Synonyms
LM ID
LMPK12110058
Formula
C22H16O4
Exact Mass
Calculate m/z
344.10486
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)
FVPDHIHSSUEMOI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H16O4/c1-22(2)10-8-14-18-16(23)12-17(13-6-4-3-5-7-13)25-19(18)15-9-11-24-20(15)21(14)26-22/h3-12H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3)OC=1C1C=COC=1C1OC(C)(C)C=CC=12

Other Databases

CHEBI ID
186436
METABOLOMICS ID
FL3F29ND0001
PubChem CID
2802240

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 5
Aromatic Rings 4
Rotatable Bonds 1
Van der Waals Molecular Volume 292.52
Topological Polar Surface Area 54.65
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 6.58
Molar Refractivity 102.05

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Updated at
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