Mol:FL5FFCGA0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
   -1.2472   -4.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6268   -4.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1726   -4.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3389   -3.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9593   -3.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4135   -3.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1154   -3.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0509   -2.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6713   -2.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1256   -2.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5990   -3.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8376   -1.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3747   -1.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5441   -0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1764   -0.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6393   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4699   -1.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7013   -4.8394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6484   -1.9186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3802   -0.6584    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.9925   -1.3298    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.7380   -1.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4879   -1.3298    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8757   -0.6584    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.1302   -0.8714    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.6531   -0.8532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3990   -0.4058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6215    0.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3458    0.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4476   -4.2634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2715   -0.6445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0947   -2.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2978   -1.7869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8951   -3.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6511   -2.6933    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 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
 19  8  1  0  0  0  0 
 23 22  1  1  0  0  0 
 15 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
 23 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
  6 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2  CH2OH 
M  SVB   2 35    3.0947   -2.0004 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  34  35 
M  SBL   1  1  37 
M  SMT   1  OCH3 
M  SVB   1 37   -1.7042    0.9371 
S  SKP  8 
ID	FL5FFCGA0004 
KNApSAcK_ID	C00005704 
NAME	Corniculatusin 3-galactoside 
CAS_RN	27560-04-9 
FORMULA	C22H22O13 
EXACTMASS	494.10604078999995 
AVERAGEMASS	494.40228 
SMILES	O(C(C(=O)3)=C(c(c4)cc(c(O)c4)O)Oc(c23)c(OC)c(cc(O)2)O)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O 
M  END