Mol:FL5FACNSS003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.6400    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6400   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0837   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5274   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5274    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0837    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9711   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4148   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4148    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9711    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9711   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1413    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7083    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2753    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2753    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7083    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1413    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0837   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8421    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1413   -0.7915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1556    0.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1556    0.1925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5163    0.1985    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5163    0.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5163   -0.3453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8751    0.1985    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 
  3 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 21  1  1  0  0  0  0 
 23 24  2  0  0  0  0 
 23 25  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 26  1  0  0  0  0 
 26 14  1  0  0  0  0 
S  SKP  8 
ID	FL5FACNSS003 
KNApSAcK_ID	C00004958 
NAME	Quercetin 3'-O-sulfate 
CAS_RN	62369-28-2 
FORMULA	C15H10O10S 
EXACTMASS	381.99946723 
AVERAGEMASS	382.2999 
SMILES	Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(c(O)c2)OS(O)(=O)=O 
M  END