Structure Database (LMSD)

Common Name
(+)-Cyclochampedol
Systematic Name
Synonyms
  • Cyclochampedol
LM ID
LMPK12111526
Formula
C20H16O7
Exact Mass
Calculate m/z
368.089605
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)
SARPNRIRSXLADG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O7/c1-8(2)5-13-16-18(25)15-12(23)6-9(21)7-14(15)26-19(16)10-3-4-11(22)17(24)20(10)27-13/h3-7,13,21-24H,1-2H3
SMILES (Click to copy)
C12C(=O)C3C(/C=C(/C)\C)OC4C(O)=C(O)C=CC=4C=3OC=1C=C(O)C=C2O

Other Databases

METABOLOMICS ID
FL3FRNNP0001
PubChem CID
44258667

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 310.19
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.58
Molar Refractivity 97.49

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Updated at
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