Structure Database (LMSD)

Common Name
Lupinisoflavone K
Systematic Name
Synonyms
LM ID
LMPK12050276
Formula
C25H24O7
Exact Mass
Calculate m/z
436.152205
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)
SSGWBHWZUDKMNN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O7/c1-24(2)8-7-13-16(32-24)6-5-12(21(13)26)15-11-30-18-10-17-14(22(27)20(18)23(15)28)9-19(31-17)25(3,4)29/h5-8,10-11,19,26-27,29H,9H2,1-4H3
SMILES (Click to copy)
C12OC(C(O)(C)C)CC1=C(O)C1C(=O)C(C3=C(O)C4C=CC(C)(C)OC=4C=C3)=COC=1C=2

Other Databases

METABOLOMICS ID
FLIAALND0002
PubChem CID
14728996

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 384.33
Topological Polar Surface Area 113.50
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 5.89
Molar Refractivity 121.05

Admin

Created at
-
Updated at
-