LMPK12140117
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.4963    8.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5189    7.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4612    7.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2552    7.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2724    8.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3924    9.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1706    7.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9877    7.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9766    8.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1472    9.0632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8429    9.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6808    8.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5435    9.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5683   10.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7052   10.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8316   10.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1706    6.1623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6299    9.0334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4612    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3924   10.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5261   10.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5261   11.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6597   12.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3924   12.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6808    7.7238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6597   10.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7934   10.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9271   10.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5701    9.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2840    9.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 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
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 12 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140117

> <COMMON_NAME>
Kushenol T

> <SYSTEMATIC_NAME>
(2S)-5,7,2'-Trihydroxy-8-(5-hydroxy-2-isopropenyl-5-methylhexyl)flavanone

> <FORMULA>
C25H30O6

> <MASS>
426.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PMFICSJNAUBMIQ-CEISFSOZSA-N

> <INCHI>
InChI=1S/C25H30O6/c1-14(2)15(9-10-25(3,4)30)11-17-19(27)12-20(28)23-21(29)13-22(31-24(17)23)16-7-5-6-8-18(16)26/h5-8,12,15,22,26-28,30H,1,9-11,13H2,2-4H3/t15?,22-/m0/s1

> <SMILES>
C1(O)C(CC(CCC(C)(C)O)C(=C)C)=C2O[C@H](C3C=CC=CC=3O)CC(=O)C2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10598514

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49840

> <CITATION>
10654410

$$$$