LMPK12140465
  LIPID_MAPS_STRUCTURE_DATABASE

 36 38  0  0  0  0  0  0  0  0999 V2000
    9.5577    8.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    7.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4096    7.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2613    7.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2613    8.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4096    9.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1131    7.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9650    7.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9650    8.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1131    9.0393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8165    9.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6846    8.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5528    9.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5528   10.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6846   10.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8165   10.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1131    6.2392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4096    6.0887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4211   10.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9485   10.5426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6115    7.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7600    7.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9104    7.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7059    9.0393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9104    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4096   10.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5581   11.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5581   12.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7065   12.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7065   13.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5581   14.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8550   14.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7065   10.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7065    9.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8550   11.0510    0.0000 C   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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  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
  3 18  1  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24  1  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 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
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
> <LM_ID>
LMPK12140465

> <COMMON_NAME>
Kushenol B

> <SYSTEMATIC_NAME>
2',4',5,7-Tetrahydroxy-6-(3-methyl-2-butenyl)-8-[(R)-5-methyl-2-(1-methylethenyl)-4-hexenyl]flavanone

> <FORMULA>
C30H36O6

> <MASS>
492.25

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CDNAGJNJVFLMRS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C30H36O6/c1-16(2)7-9-19(18(5)6)13-23-28(34)22(11-8-17(3)4)29(35)27-25(33)15-26(36-30(23)27)21-12-10-20(31)14-24(21)32/h7-8,10,12,14,19,26,31-32,34-35H,5,9,11,13,15H2,1-4,6H3

> <SMILES>
C1(O)=C(CC(C(=C)C)C/C=C(/C)\C)C2OC(C3C(O)=CC(O)=CC=3)CC(=O)C=2C(O)=C1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187818

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318891

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49840

> <CITATION>
-

$$$$