LMPK12140554
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.3264    8.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500    7.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3399    7.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1741    7.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1921    9.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2678    9.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1357    7.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9940    7.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9822    9.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1111    9.5205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8924    9.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7726    9.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6788    9.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7049   10.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7982   11.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8805   10.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1357    6.4733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4162    9.4893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3399    6.5371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2678   10.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2866   11.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4555   10.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6488   11.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7572   10.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2866   12.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9799   12.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5608   12.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5146    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7572    9.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4846   11.0739    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
  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
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 21 26  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 19 29  1  0  0  0  0
 24 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140554

> <COMMON_NAME>
Kushenol U

> <SYSTEMATIC_NAME>
(2S)-7,4'-Dihydroxy-8-lavandulyl-5-methoxyflavanone

> <FORMULA>
C26H30O5

> <MASS>
422.21

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HWMUITXPRSEDHI-JPYJTQIMSA-N

> <INCHI>
InChI=1S/C26H30O5/c1-15(2)6-7-18(16(3)4)12-20-21(28)13-24(30-5)25-22(29)14-23(31-26(20)25)17-8-10-19(27)11-9-17/h6,8-11,13,18,23,27-28H,3,7,12,14H2,1-2,4-5H3/t18-,23+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608062

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49840

> <CITATION>
10654410

$$$$