Structure Database (LMSD)

Common Name
Senegalensin
Systematic Name
Synonyms
LM ID
LMPK12050185
Formula
C25H26O6
Exact Mass
Calculate m/z
422.17294
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
LKFQSODZCVNSSG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-13(2)5-10-16-23-17(11-19(31-23)25(3,4)29)21(27)20-22(28)18(12-30-24(16)20)14-6-8-15(26)9-7-14/h5-9,12,19,26-27,29H,10-11H2,1-4H3
SMILES (Click to copy)
C12OC(C(O)(C)C)CC1=C(O)C1C(=O)C(C3=CC=C(O)C=C3)=COC=1C=2C/C=C(/C)\C

Other Databases

METABOLOMICS ID
FLIAAANF0005
PubChem CID
195652

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 387.90
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.93
Molar Refractivity 119.93

Admin

Created at
-
Updated at
-