Structure Database (LMSD)

Common Name
Lupinalbin C
Systematic Name
Synonyms
LM ID
LMPK12160002
Formula
C20H16O7
Exact Mass
Calculate m/z
368.089605
Status
Curated
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)
OUXVZUSNVCVRFP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O7/c1-20(2,24)14-6-10-12(25-14)7-13-16(17(10)22)18(23)15-9-4-3-8(21)5-11(9)26-19(15)27-13/h3-5,7,14,21-22,24H,6H2,1-2H3
SMILES (Click to copy)
C12OC(C(O)(C)C)CC1=C(O)C1C(=O)C3C4C(OC=3OC=1C=2)=CC(O)=CC=4

Other Databases

METABOLOMICS ID
FLIG1LNF0002
PubChem CID
14309762

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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