Structure Database (LMSD)

Common Name
Cyclomorusin
Systematic Name
Synonyms
  • Cyclomulberrochromene
LM ID
LMPK12110913
Formula
C25H22O6
Exact Mass
Calculate m/z
418.14164
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)
GDQXJMLXEYSICD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC3C4C=CC(O)=CC=4OC(/C=C(/C)\C)C=3C(=O)C=1C(O)=C2

Other Databases

HMDB ID
HMDB0030687
CHEBI ID
132868
METABOLOMICS ID
FL3FALNP0002
PubChem CID
5481969

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 372.90
Topological Polar Surface Area 93.27
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 6.64
Molar Refractivity 118.41

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Updated at
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