LMPK12140469
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.8469    6.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5600    5.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2732    6.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2732    7.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5600    7.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8469    7.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9865    5.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6998    6.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6998    7.0582    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9865    7.4699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4123    7.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9865    5.1054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1439    7.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8757    7.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8757    8.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1439    8.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4123    8.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1336    7.4699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5600    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6073    8.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    8.7361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1343    5.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4217    6.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7108    5.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7108    5.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5600    8.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8476    8.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8476    9.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1350    9.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5600    9.9382    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
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
  1 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
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140469

> <COMMON_NAME>
Kushenol E

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O6

> <MASS>
424.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZTEYEFPSJPSRRA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H28O6/c1-13(2)5-8-17-23(29)18(9-6-14(3)4)25-22(24(17)30)20(28)12-21(31-25)16-10-7-15(26)11-19(16)27/h5-7,10-11,21,26-27,29-30H,8-9,12H2,1-4H3

> <SMILES>
C1(C/C=C(\C)/C)C(O)=C(C/C=C(\C)/C)C2OC(C3C(O)=CC(O)=CC=3)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9979767

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$