Mol:FL3FACNSS001

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -0.7865   -0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7865   -0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3354   -0.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1156   -0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1156   -0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3354    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5667   -0.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0178   -0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0178   -0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5667    0.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5667   -1.3305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4687    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9284   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3881    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3881    0.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9284    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4687    0.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3060    0.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3354   -1.4442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9824    0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2006    0.1568    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2006    0.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2006   -0.4837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9824    0.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9284    1.4442    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 
 18  1  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 21 23  2  0  0  0  0 
 21 24  1  0  0  0  0 
 16 25  1  0  0  0  0 
S  SKP  8 
ID	FL3FACNSS001 
KNApSAcK_ID	C00004328 
NAME	Luteolin 7-sulfate 
CAS_RN	56857-57-9 
FORMULA	C15H10O9S 
EXACTMASS	366.00455260800004 
AVERAGEMASS	366.30050000000006 
SMILES	Oc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O 
M  END