LMPK12111838
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
    7.7869   10.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7869    9.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6164    9.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4459    9.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4459   10.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6164   11.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2754    9.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1050    9.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1050   10.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2754   11.2464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2754    8.5839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9342   11.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7795   10.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250   11.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250   12.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7795   12.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9342   12.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6164    8.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9342    9.3308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8085   12.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6164   12.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8286   12.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0407   12.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0407   11.2464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3241   12.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5654    8.1712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3768    6.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5599    5.3496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9297    7.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8414    8.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6570    7.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5611    6.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6527    6.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8371    6.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9286    6.5091    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  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
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
 20 15  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  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
 35 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  6     0  0
 31 19  1  1     0  0
 32 27  1  6     0  0
 33 28  1  6     0  0
 34 29  1  1     0  0
M  END
> <LM_ID>
LMPK12111838

> <COMMON_NAME>
Ikarisoside E

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H26O10

> <MASS>
498.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FRKNVAWDQIICIE-JVERBMLMSA-N

> <INCHI>
InChI=1S/C26H26O10/c1-11-18(29)20(31)21(32)25(33-11)35-24-19(30)17-15(28)10-16-14(8-9-26(2,3)36-16)23(17)34-22(24)12-4-6-13(27)7-5-12/h4-11,18,20-21,25,27-29,31-32H,1-3H3/t11-,18-,20+,21+,25-/m0/s1

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179872

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5481979

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$