LMPK12111865
  LIPID_MAPS_STRUCTURE_DATABASE

 41 45  0  0  0  0  0  0  0  0999 V2000
   10.4492   11.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4492   10.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3056    9.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1615   10.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1615   11.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3056   11.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0177    9.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8739   10.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8739   11.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0177   11.7892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0177    9.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7297   11.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6023   11.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4747   11.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4747   12.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6023   13.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7297   12.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3056    8.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5934   11.7889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3472   13.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9046    9.7228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8869    9.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5628    7.4598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2574    5.9301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5893    8.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2430    8.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2341    8.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5717    7.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9189    6.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9278    7.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2751    6.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0580    9.8459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1073    9.3381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6972   10.7719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9103   12.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6207   11.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3530   10.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3749   10.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6700   11.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9376   11.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2326   12.7149    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
  1 19  1  0  0  0  0
 15 20  1  0  0  0  0
  8 21  1  0  0  0  0
 30 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  6     0  0
 26 21  1  1     0  0
 27 22  1  6     0  0
 28 23  1  6     0  0
 29 24  1  1     0  0
 40 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  6     0  0
 36 19  1  1     0  0
 37 32  1  6     0  0
 38 33  1  6     0  0
 39 34  1  1     0  0
M  END
> <LM_ID>
LMPK12111865

> <COMMON_NAME>
Kaempferitrin

> <SYSTEMATIC_NAME>
3,4',5,7-tetrahydroxyflavone 3,7-dirhamnoside

> <FORMULA>
C27H30O14

> <MASS>
578.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Kaempferol 3,7-dirhamnoside; Lespedin

> <INCHI_KEY>
PUPKKEQDLNREIM-QNSQPKOQSA-N

> <INCHI>
InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2OC(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=2C(O)=C1

> <KEGG_ID>
C16981

> <HMDB_ID>
-

> <CHEBI_ID>
68883

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5486199

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 198859

> <CITATION>
-

$$$$