Structure Database (LMSD)

Common Name
Ovalifolin
Systematic Name
Synonyms
LM ID
LMPK12110059
Formula
C22H18O4
Exact Mass
Calculate m/z
346.12051
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)
VZSKLDHXYLNZMO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H18O4/c1-14(2)8-10-24-20-12-17-18(23)13-19(15-6-4-3-5-7-15)26-21(17)16-9-11-25-22(16)20/h3-9,11-13H,10H2,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3)OC=1C1C=COC=1C(OC/C=C(\C)/C)=C2

Other Databases

METABOLOMICS ID
FL3F29NF0001
PubChem CID
15160715

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 4
Rotatable Bonds 4
Van der Waals Molecular Volume 304.88
Topological Polar Surface Area 52.58
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 6.74
Molar Refractivity 103.22

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Updated at
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