LMPK12111689
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    8.3391    9.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2887   10.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2887   11.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3391   11.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3898   11.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3898   10.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2382    9.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1878   10.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1878   11.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2382   11.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3089   12.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2144   11.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1201   12.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1201   13.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2144   13.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3089   13.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8309   13.4858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7040   11.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3391    8.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2382    9.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0763    9.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7312    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9691    4.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5194    4.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2520    4.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2520    5.2353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0824    4.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0692    9.7591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0534    8.0259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0449    6.3121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0641    8.0469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6911    5.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5685    8.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5649    8.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0571    8.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5527    7.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5564    7.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0520    6.3262    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
  2  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  3  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
  5 18  1  0  0  0  0
  1 19  1  0  0  0  0
  7 20  2  0  0  0  0
  8 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 32 38  1  0     0  0
 37 31  1  0     0  0
 31 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  1     0  0
 33 21  1  1     0  0
 34 28  1  6     0  0
 35 29  1  1     0  0
 36 30  1  1     0  0
 32 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111689

> <COMMON_NAME>
Kaempferol 3-(6''-malonylgalactoside)

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H22O14

> <MASS>
534.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XEXCLTHHXIWUHO-YYYZAYPPSA-N

> <INCHI>
InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)/t14-,18+,20+,21-,24+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101262902

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$