LMPK12140501
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0  0  0  0  0  0  0  0999 V2000
    9.3969    8.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4197    7.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3817    7.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1921    7.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2097    8.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3115    9.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1267    7.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9606    7.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9491    8.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1028    9.1254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8335    9.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6887    8.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5692    9.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5946   10.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7137   10.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8221   10.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1267    6.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5126    9.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3817    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3657   10.6426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4274   10.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4274   11.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3115   12.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5430   12.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3115   10.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6887    7.7738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4278    7.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7089   11.8115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5473   10.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7191   10.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8986   10.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8986    9.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607   10.7417    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
 14 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 21  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 28  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140501

> <COMMON_NAME>
Kushenol Q

> <SYSTEMATIC_NAME>
5,7,2',4'-Tetrahydroxy-8-[2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl]flavanone

> <FORMULA>
C26H32O7

> <MASS>
456.21

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YWIUATOYHNLUNP-WLNDFMDLSA-N

> <INCHI>
InChI=1S/C26H32O7/c1-14(2)5-6-16(15(3)13-27)9-19-20(29)11-21(30)25-22(31)12-24(33-26(19)25)18-8-7-17(28)10-23(18)32-4/h5,7-8,10-11,15-16,24,27-30H,6,9,12-13H2,1-4H3/t15?,16?,24-/m0/s1

> <SMILES>
C1(O)C(CC(C/C=C(/C)\C)C(CO)C)=C2O[C@H](C3C=CC(O)=CC=3OC)CC(=O)C2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193550

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608036

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49840

> <CITATION>
10654410

$$$$