LMPK12140110
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.7461    8.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7461    7.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5902    7.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4342    7.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4342    8.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5902    8.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2783    7.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1224    7.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1224    8.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2783    8.9843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9662    8.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8266    8.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6867    8.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6867    9.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8266   10.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9662    9.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2783    6.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5902    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9023    8.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5902   10.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7463   11.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7463   12.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1062   10.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9026   10.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9026    9.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9026   12.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9026   13.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7445   14.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   14.2104    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  0  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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140110

> <COMMON_NAME>
Kushenol A

> <SYSTEMATIC_NAME>
2',5,7-Trihydroxy-8-(2-isopropenyl-5-methyl-4-hexenyl)flavanone

> <FORMULA>
C25H28O5

> <MASS>
408.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OGBMVWVBHWHRGD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H28O5/c1-14(2)9-10-16(15(3)4)11-18-20(27)12-21(28)24-22(29)13-23(30-25(18)24)17-7-5-6-8-19(17)26/h5-9,12,16,23,26-28H,3,10-11,13H2,1-2,4H3

> <SMILES>
C1(O)=C(CC(C(C)=C)C/C=C(/C)\C)C2OC(C3C(O)=CC=CC=3)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318890

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49840

> <CITATION>
-

$$$$