Structure Database (LMSD)

Common Name
Kenusanone B
Systematic Name
Synonyms
LM ID
LMPK12140475
Formula
C25H28O7
Exact Mass
Calculate m/z
440.183505
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
IHBZIMVYBKLCGV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O7/c1-12(2)5-7-15-23(30)16(8-6-13(3)4)25-22(24(15)31)19(29)11-20(32-25)21-17(27)9-14(26)10-18(21)28/h5-6,9-10,20,26-28,30-31H,7-8,11H2,1-4H3
SMILES (Click to copy)
C1(C/C=C(\C)/C)C(O)=C(C/C=C(\C)/C)C2OC(C3C(O)=CC(O)=CC=3O)CC(=O)C=2C=1O

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FALNI0014
PubChem CID
11070235

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 419.95
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 4.94
Molar Refractivity 119.79

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Updated at
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