Mol:FL5FAANSS002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.4042    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4042   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8479   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2916   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2916    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8479    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2647   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8210   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8210    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2647    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2647   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3771    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9441    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5111    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5111    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9441    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3771    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3771   -0.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8479   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0779    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0779    0.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4973    0.4872    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4973    0.9767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4973   -0.0565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9192    0.4872    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 
  8 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  2  0  0  0  0 
 22 25  1  0  0  0  0 
 25  1  1  0  0  0  0 
S  SKP  8 
ID	FL5FAANSS002 
KNApSAcK_ID	C00004946 
NAME	Kaempferol 7-O-sulfate 
CAS_RN	56857-59-1 
FORMULA	C15H10O9S 
EXACTMASS	366.00455260800004 
AVERAGEMASS	366.30050000000006 
SMILES	Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(c2)OS(O)(=O)=O)1 
M  END