LMPK12140502
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0  0  0  0  0  0  0  0999 V2000
   10.0680    8.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0909    7.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0527    7.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8631    7.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8807    8.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9825    9.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7974    7.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6313    7.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6199    8.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7736    9.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5040    9.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3593    8.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2398    9.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2650   10.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3842   10.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4926   10.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7974    6.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1838    9.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0527    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0361   10.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0985   10.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0985   11.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9825   12.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2143   12.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9825   10.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3593    7.7735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0983    7.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2185   10.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3904   10.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5700   10.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5700    9.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322   10.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.7741    0.0000 O   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  2  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
 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140502

> <COMMON_NAME>
Kushenol P

> <SYSTEMATIC_NAME>
(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-(5-hydroxy-5-methyl-2-isopropenylhexyl)flavanone

> <FORMULA>
C26H32O7

> <MASS>
456.21

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XOPDZJVJVVORSL-GMTBNIFVSA-N

> <INCHI>
InChI=1S/C26H32O7/c1-14(2)15(8-9-26(3,4)31)10-18-19(28)12-20(29)24-21(30)13-23(33-25(18)24)17-7-6-16(27)11-22(17)32-5/h6-7,11-12,15,23,27-29,31H,1,8-10,13H2,2-5H3/t15?,23-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10742453

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49840

> <CITATION>
10654410

$$$$