Structure Database (LMSD)

Common Name
Epimedokoreanin A
Systematic Name
Synonyms
LM ID
LMPK12110723
Formula
C25H24O8
Exact Mass
Calculate m/z
452.14712
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
WBPWEEMLAPPDRR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O8/c1-10(2)17-7-12-19(31-17)9-15(27)20-14(26)8-18(32-23(12)20)11-5-13-21(29)24(30)25(3,4)33-22(13)16(28)6-11/h5-6,8-9,17,21,24,27-30H,1,7H2,2-4H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=C4C(O)C(O)C(C)(C)OC4=C(O)C=3)OC=1C1CC(C(=C)C)OC=1C=C2O

Other Databases

METABOLOMICS ID
FL3FACND0001
PubChem CID
44258147

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 393.12
Topological Polar Surface Area 133.73
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 5.08
Molar Refractivity 121.50

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Updated at
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