Mol:FL3F2CNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -2.0748    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0748   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5185   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9622   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9622    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5185    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4059   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1504   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1504    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4059    0.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4059   -1.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7065    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2735    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8405    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8405    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2735    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7065    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5521    0.5105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4472    0.2391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7892    0.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3940    1.2540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7892   -0.4703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0748   -0.8828    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 
 18  1  1  0  0  0  0 
 14 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 15  1  0  0  0  0 
  2 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  25 
M  SMT   1 ^OCH3 
M  SBV   1 25   -7.4051    3.1008 
S  SKP  8 
ID	FL3F2CNS0003 
KNApSAcK_ID	C00004000 
NAME	Prosogerin A 
CAS_RN	70927-54-7 
FORMULA	C17H12O6 
EXACTMASS	312.063388116 
AVERAGEMASS	312.27358 
SMILES	COc(c1)c(O)cc(O2)c1C(=O)C=C2c(c3)cc(O4)c(OC4)c3 
M  END