Mol:FL5FEAGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -0.5488    0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5488   -0.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0075   -0.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5638   -0.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5638    0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0075    0.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1201   -0.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6764   -0.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6764    0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1201    0.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1201   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2325    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7994    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3664    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3664    1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7994    1.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2325    1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1049    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1098   -0.9590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9332    1.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3558    0.1810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.9386   -0.3696    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.3379   -0.1360    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.7583   -0.1298    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.1795    0.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7050    0.0142    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -4.0199    0.2391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3323   -0.8880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9938   -0.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0075   -1.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1049   -0.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6687    0.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4965    1.0797    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 
  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 
  8 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 18  1  0  0  0  0 
  3 30  1  0  0  0  0 
  2 31  1  0  0  0  0 
 26 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  CH2OH 
M  SVB   1 35   -2.4588    0.4562 
S  SKP  8 
ID	FL5FEAGS0001 
KNApSAcK_ID	C00005307 
NAME	6-Hydroxykaempferol 7-glucoside 
CAS_RN	70056-55-2 
FORMULA	C21H20O12 
EXACTMASS	464.095476104 
AVERAGEMASS	464.37629999999996 
SMILES	[C@@H]([C@@H]1Oc(c4O)cc(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)(O)[C@@H](O)[C@@H](O)C(O1)CO 
M  END