Structure Database (LMSD)

Common Name
Lupinisoflavone L
Systematic Name
Synonyms
LM ID
LMPK12050275
Formula
C25H24O7
Exact Mass
Calculate m/z
436.152205
Status
Curated
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)
KEWUZAKGUIPPDR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O7/c1-24(2)8-7-13-17(32-24)10-18-20(22(13)27)23(28)15(11-30-18)12-5-6-16-14(21(12)26)9-19(31-16)25(3,4)29/h5-8,10-11,19,26-27,29H,9H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3=C(O)C4CC(C(O)(C)C)OC=4C=C3)=COC=1C=2

Other Databases

METABOLOMICS ID
FLIAALND0001
PubChem CID
14728997

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

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Updated at
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