Mol:FL6DPTNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -0.9339   -0.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9339   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3776   -1.1419    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.1787   -0.8207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.1787   -0.1783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.3776    0.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7350   -1.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2913   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2913   -0.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7350    0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4902    0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0465   -0.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0465   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4902   -1.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8476    0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8476    0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2913    1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7350    0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2913    1.7485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4037    1.1063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3776   -1.7485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4037    0.4404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9037    1.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  1  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
  5 10  1  6  0  0  0 
 11  1  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
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 14  2  1  0  0  0  0 
  9 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
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 18 10  1  0  0  0  0 
 17 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  3 21  1  6  0  0  0 
 12 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  SVB   1 25   -2.4037    0.4404 
S  SKP  8 
ID	FL6DPTNS0003 
KNApSAcK_ID	C00009041 
NAME	7-O-Methylpeltogynol 
CAS_RN	53766-33-9 
FORMULA	C17H16O6 
EXACTMASS	316.094688244 
AVERAGEMASS	316.30534 
SMILES	COc(c4)cc(O1)c(c4)[C@@H](O)[C@H](O3)[C@H]1c(c2)c(C3)cc(O)c(O)2 
M  END