Structure Database (LMSD)

Common Name
Kuwanon A
Systematic Name
Synonyms
LM ID
LMPK12110918
Formula
C25H24O6
Exact Mass
Calculate m/z
420.15729
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)
DBUNRZUFILGKHP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O6/c1-13(2)5-6-16-22(29)21-19(28)11-14(26)12-20(21)30-23(16)17-7-8-18(27)15-9-10-25(3,4)31-24(15)17/h5,7-12,26-28H,6H2,1-4H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C4OC(C)(C)C=CC=4C(O)=CC=3)=C(C/C=C(/C)\C)C(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0029505
CHEBI ID
169841
METABOLOMICS ID
FL3FALNP0007
PubChem CID
44258296

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 385.26
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 6.46
Molar Refractivity 120.41

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Updated at
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