LMPK12111838
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0  0  0  0  0  0  0  0999 V2000
    8.0188   11.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0188   10.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8730    9.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7272   10.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7272   11.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8730   11.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5814    9.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4357   10.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4357   11.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5814   11.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5814    8.8395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2896   11.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1601   11.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0308   11.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0308   12.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1601   13.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2896   12.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8730    8.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2896    9.6087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2495   13.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8730   12.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0617   12.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2504   12.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2504   11.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5124   13.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2411   12.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9694    8.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7752    6.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042    5.5089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2552    8.1535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1940    8.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0339    7.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9352    6.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9997    6.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1598    7.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2243    6.7029    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>
3,5,7,4'-Tetrahydroxy-6",6"-dimethylpyrano[2",3":7,8]flavone 3-rhamnoside

> <FORMULA>
C26H26O10

> <MASS>
498.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6",6"-dimethylpyrano(2",3": 7,8)kaempferol 3-O-alpha-rhamnoside

> <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; 244027

> <CITATION>
-

$$$$