Structure Database (LMSD)

Common Name
Kazinol B
Systematic Name
Synonyms
LM ID
LMPK12020241
Formula
C25H28O4
Exact Mass
Calculate m/z
392.19876
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
QSCBHDIGHKHWKC-NRFANRHFSA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-15(2)5-9-19-20(13-17-11-12-25(3,4)29-24(17)23(19)27)21-10-7-16-6-8-18(26)14-22(16)28-21/h5-6,8,11-14,21,26-27H,7,9-10H2,1-4H3/t21-/m0/s1
SMILES (Click to copy)
C1(O)=CC2O[C@H](C3C(C/C=C(\C)/C)=C(O)C4OC(C)(C)C=CC=4C=3)CCC=2C=C1

Other Databases

METABOLOMICS ID
FL6F1CNP0001
PubChem CID
480869

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 383.86
Topological Polar Surface Area 63.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.14
Molar Refractivity 115.29

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Updated at
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