Structure Database (LMSD)

Common Name
Kuwanon F
Systematic Name
Synonyms
LM ID
LMPK12140513
Formula
C25H26O6
Exact Mass
Calculate m/z
422.17294
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
FZAZNGMSARSUNC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-14(2)5-4-7-25(3)8-6-15-9-17(18(27)12-21(15)31-25)22-13-20(29)24-19(28)10-16(26)11-23(24)30-22/h5-6,8-12,22,26-28H,4,7,13H2,1-3H3
SMILES (Click to copy)
C1C(O)=CC2OC(C3C(O)=CC4OC(C)(CC/C=C(\C)/C)C=CC=4C=3)CC(=O)C=2C=1O

Other Databases

HMDB ID
HMDB0030863
CHEBI ID
175377
METABOLOMICS ID
FL2FALNP0009
PubChem CID
156149

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 398.80
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.71
Molar Refractivity 117.44

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Updated at
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