Structure Database (LMSD)

Common Name
Lupinisoflavone A
Systematic Name
Synonyms
LM ID
LMPK12050278
Formula
C20H16O6
Exact Mass
Calculate m/z
352.09469
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)
DOGAHANJPKBCGB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O6/c1-9(2)15-6-12-16(26-15)7-17-18(19(12)23)20(24)13(8-25-17)11-4-3-10(21)5-14(11)22/h3-5,7-8,15,21-23H,1,6H2,2H3
SMILES (Click to copy)
C12OC(C(C)=C)CC1=C(O)C1C(=O)C(C3=C(O)C=C(O)C=C3)=COC=1C=2

Other Databases

HMDB ID
HMDB0038127
CHEBI ID
175503
METABOLOMICS ID
FLIAALNF0002
PubChem CID
5319901

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 301.40
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.64
Molar Refractivity 96.47

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Updated at
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