LMPK12112514
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0  0  0  0  0  0  0  0999 V2000
    9.5284    8.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5284    7.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3958    7.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2630    7.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2630    8.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3958    9.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1304    7.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9977    7.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9977    8.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1304    9.0647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1304    6.2810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8647    9.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7486    8.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6326    9.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6326   10.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7486   10.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8647   10.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9017    7.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3958    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5164   10.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613    9.0646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3958   10.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5287   10.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5287   11.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6617   10.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7947   10.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9276   10.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9276    9.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6617   12.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3958   12.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9809   10.5956    0.0000 O   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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 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 12  1  0  0  0  0
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
  1 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  2  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112514

> <COMMON_NAME>
Kushenol C

> <SYSTEMATIC_NAME>
3,5,7,2',4'-Pentahydroxy-8-lavandulylflavone

> <FORMULA>
C25H26O7

> <MASS>
438.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WAAPHYJTKSTXSX-CQSZACIVSA-N

> <INCHI>
InChI=1S/C25H26O7/c1-12(2)5-6-14(13(3)4)9-17-19(28)11-20(29)21-22(30)23(31)25(32-24(17)21)16-8-7-15(26)10-18(16)27/h5,7-8,10-11,14,26-29,31H,3,6,9H2,1-2,4H3/t14-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5481237

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49840

> <CITATION>
-

$$$$