Structure Database (LMSD)

Common Name
Kazinol A
Systematic Name
Synonyms
LM ID
LMPK12020236
Formula
C25H30O4
Exact Mass
Calculate m/z
394.21441
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)
QXHVECWDOBLWPW-QFIPXVFZSA-N
InChi (Click to copy)
InChI=1S/C25H30O4/c1-15(2)5-7-18-13-21(20(11-6-16(3)4)25(28)24(18)27)22-12-9-17-8-10-19(26)14-23(17)29-22/h5-6,8,10,13-14,22,26-28H,7,9,11-12H2,1-4H3/t22-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@]([H])(C3C(C/C=C(/C)\C)=C(O)C(O)=C(C/C=C(\C)/C)C=3)CCC2=CC=1

Other Databases

KEGG ID
C09760
CHEBI ID
6118
METABOLOMICS ID
FL6F1CNI0001
PubChem CID
442414

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 396.22
Topological Polar Surface Area 71.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.89
Molar Refractivity 115.84

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Updated at
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