Mol:FL5FAAGA0028

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 38 41  0  0  0  0  0  0  0  0999 V2000 
   -2.6422   -0.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0318    0.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0318    0.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6422    1.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2526    0.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2526    0.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4213   -0.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8109    0.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8109    0.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4213    1.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0901    1.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4921    1.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0743    1.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0743    2.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4921    2.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0901    2.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5313    2.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6935    1.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6422   -0.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4213   -0.5394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2396   -0.0878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7138   -0.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2459    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4935    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8397    0.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3075   -0.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0600   -0.1502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3928    0.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7217    0.4045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3544    0.4142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1819   -0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1819   -1.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1819   -2.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6920   -2.3253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6887   -2.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1597   -2.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1597   -1.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6935   -2.3715    0.0000 O   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 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 22  1  1  0  0  0 
 21 26  1  0  0  0  0 
 25 28  1  0  0  0  0 
 24 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 22 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  2  0  0  0  0 
 33 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
 36 38  2  0  0  0  0 
S  SKP  8 
ID	FL5FAAGA0028 
KNApSAcK_ID	C00005840 
NAME	Kaempferol 3-(6''-malonylgalactoside) 
CAS_RN	81202-52-0 
FORMULA	C24H22O14 
EXACTMASS	534.100955412 
AVERAGEMASS	534.42308 
SMILES	O=C(CC(O)=O)OCC(O1)C(O)C(O)C(O)C1OC(=C3c(c4)ccc(c4)O)C(=O)c(c(O3)2)c(O)cc(O)c2 
M  END