Structure Database (LMSD)

HO OH O OH O O
Common Name
Lupinalbin F
Systematic Name
Synonyms
LM ID
LMPK12160006
Formula
C25H24O6
Exact Mass
Calculate m/z
420.15729
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
WNJJWUYKQKUQED-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O6/c1-12(2)5-7-14-18(27)11-19-21(22(14)28)23(29)20-16-9-10-17(26)15(8-6-13(3)4)24(16)31-25(20)30-19/h5-6,9-11,26-28H,7-8H2,1-4H3
SMILES (Click to copy)
C1(O)=CC2OC3OC4C(=CC=C(O)C=4C/C=C(/C)\C)C=3C(=O)C=2C(O)=C1C/C=C(\C)/C

References

Taxonomy Information

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

Other Databases

CHEBI ID
178576
METABOLOMICS ID
FLIG1LNI0004
PubChem CID
44260100

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 4
Rotatable Bonds 4
Van der Waals Molecular Volume 374.36
Topological Polar Surface Area 104.04
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 6.73
Molar Refractivity 121.13

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Updated at
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