Structure Database (LMSD)

Common Name
Kuwanon E
Systematic Name
Synonyms
LM ID
LMPK12140462
Formula
C25H28O6
Exact Mass
Calculate m/z
424.18859
Status
Active
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)
GJFHZVPRFLHEBR-VIZOYTHASA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-16-9-18(20(28)12-19(16)27)23-13-22(30)25-21(29)10-17(26)11-24(25)31-23/h5,7,9-12,23,26-29H,4,6,8,13H2,1-3H3/b15-7+
SMILES (Click to copy)
C1(O)=CC2OC(C3C(O)=CC(O)=C(C/C=C(\C)/CC/C=C(\C)/C)C=3)CC(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0030862
METABOLOMICS ID
FL2FALNI0001
PubChem CID
10342292

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 411.16
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.45
Molar Refractivity 117.99

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Updated at
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