LMPK12020241
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.2578    6.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2578    5.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9614    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650    5.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650    6.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9614    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3687    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0723    5.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0723    6.2188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3687    6.6249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7757    6.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4927    6.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2099    6.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2099    7.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4927    7.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7757    7.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9270    6.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6442    6.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6442    7.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9270    7.8670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0588    7.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0588    8.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3432    9.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3432    9.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    8.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4927    8.6948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2833    8.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4801    7.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 15 27  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020241

> <COMMON_NAME>
Kazinol B

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O4

> <MASS>
392.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QSCBHDIGHKHWKC-NRFANRHFSA-N

> <INCHI>
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>
C1(O)=CC2O[C@H](C3C(C/C=C(\C)/C)=C(O)C4OC(C)(C)C=CC=4C=3)CCC=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
480869

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$