LMPK12112920
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
   12.2411   10.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2411    8.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1268    8.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0125    8.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0125   10.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1268   10.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8980    8.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7835    8.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7835   10.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8980   10.5299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8980    7.6873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6688   10.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5715   10.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4741   10.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4741   11.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5715   12.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6688   11.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1268    7.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4832   12.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5715   13.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3558    8.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5196   10.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4627    8.5031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8011   10.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1536    8.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3416    6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5974    5.4886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8726    6.5037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6186    8.4970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1178    7.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4864    7.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4793    6.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6044    6.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7422    6.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7493    8.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8869    8.5092    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
 19 15  1  0  0  0  0
 16 20  1  0  0  0  0
  2 21  1  0  0  0  0
  1 22  1  0  0  0  0
  8 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 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  1     0  0
 31 21  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
M  END
> <LM_ID>
LMPK12112920

> <COMMON_NAME>
Tomentin 6-glucoside

> <SYSTEMATIC_NAME>
5,6,3',4'-Tetrahydroxy-3,7-dimethoxyflavone 6-glucoside

> <FORMULA>
C23H24O13

> <MASS>
508.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QSJCBTMNXPAKKC-XCSGUALTSA-N

> <INCHI>
InChI=1S/C23H24O13/c1-32-12-6-11-14(16(28)21(12)36-23-19(31)18(30)15(27)13(7-24)35-23)17(29)22(33-2)20(34-11)8-3-4-9(25)10(26)5-8/h3-6,13,15,18-19,23-28,30-31H,7H2,1-2H3/t13-,15-,18+,19-,23+/m1/s1

> <SMILES>
C1(OC)=CC2OC(C3C=C(O)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
182405

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 40784

> <CITATION>
-

$$$$