Structure Database (LMSD)

Common Name
Lupinalbin E
Systematic Name
Synonyms
LM ID
LMPK12160001
Formula
C20H16O7
Exact Mass
Calculate m/z
368.089605
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Other Flavonoids [PK1216]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
YZFMCGFSQWFYCY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O7/c1-20(2,24)14-7-10-12(25-14)4-3-9-15-17(23)16-11(22)5-8(21)6-13(16)26-19(15)27-18(9)10/h3-6,14,21-22,24H,7H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC3OC4C(=CC=C5OC(C(O)(C)C)CC5=4)C=3C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FLIG1LNF0001
PubChem CID
44260097

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 5
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 300.47
Topological Polar Surface Area 113.50
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 4.52
Molar Refractivity 96.87

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Updated at
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