LMPK12140132
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
   11.1471    7.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0109    7.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8745    7.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8745    8.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0109    9.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1471    8.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7383    7.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6020    7.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6020    8.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7383    9.0516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7383    6.1881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0109    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3069    9.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5632    9.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4400    8.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3168    9.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3168   10.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4400   10.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5632   10.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2842    7.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2941    7.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2923    7.3261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3082    9.0639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8115    9.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3355   10.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3085    9.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8020    8.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7986    8.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3066    9.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8131    9.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3210   10.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  7 11  2  0  0  0  0
  2 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  1 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 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  1     0  0
 26 13  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  1     0  0
M  END
> <LM_ID>
LMPK12140132

> <COMMON_NAME>
Strobopinin 7-galactoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H24O9

> <MASS>
432.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LJDSWPMCIQJDAR-WYPFCQQNSA-N

> <INCHI>
InChI=1S/C22H24O9/c1-10-13(30-22-21(28)20(27)19(26)16(9-23)31-22)8-15-17(18(10)25)12(24)7-14(29-15)11-5-3-2-4-6-11/h2-6,8,14,16,19-23,25-28H,7,9H2,1H3/t14?,16-,19+,20+,21-,22-/m1/s1

> <SMILES>
C1(C)C(O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14727693

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$