Structure Database (LMSD)

Common Name
Morusignin L
Systematic Name
Synonyms
LM ID
LMPK12110928
Formula
C25H26O7
Exact Mass
Calculate m/z
438.167855
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
XUHTYQLVSNYQKM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O7/c1-24(2,30)9-7-16-22(29)20-19(31-23(16)14-6-5-13(26)11-17(14)27)12-18-15(21(20)28)8-10-25(3,4)32-18/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3
SMILES (Click to copy)
C12C(=O)C(CCC(O)(C)C)=C(C3C=CC(O)=CC=3O)OC=1C=C1OC(C)(C)C=CC1=C2O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

CHEBI ID
186273
METABOLOMICS ID
FL3FALNP0017
PubChem CID
44258298

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 396.69
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 5.94
Molar Refractivity 122.41

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Updated at
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