LMPK12112002
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.7202   11.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7208   10.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5776   10.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4338   10.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4333   11.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5765   12.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2907   10.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1468   10.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1464   11.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2894   12.1304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2914    9.3816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0022   12.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8755   11.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7483   12.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7475   13.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8741   13.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0016   13.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8636   12.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5784    9.1628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1453    9.8009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6198   13.6452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3000   13.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9882    8.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1517    6.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4743    5.7377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3871    8.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8938    5.6274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2281    8.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1497    8.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2301    7.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3916    6.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4700    7.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6314    6.6129    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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  1     0  0
 28 20  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  1     0  0
M  END
> <LM_ID>
LMPK12112002

> <COMMON_NAME>
Kaempferide 3-galactoside

> <SYSTEMATIC_NAME>
3,5,7-Trihydroxy-4'-methoxyflavone 3-galactoside

> <FORMULA>
C22H22O11

> <MASS>
462.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MQVRGDZCYDEQML-UVHBULKNSA-N

> <INCHI>
InChI=1S/C22H22O11/c1-30-11-4-2-9(3-5-11)20-21(17(27)15-12(25)6-10(24)7-13(15)31-20)33-22-19(29)18(28)16(26)14(8-23)32-22/h2-7,14,16,18-19,22-26,28-29H,8H2,1H3/t14-,16+,18+,19-,22+/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=CC(OC)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162948680

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3128859

> <CITATION>
-

$$$$