Mol:FL1CHYNP0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
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   -1.8665   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3102   -0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7539   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7539    0.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3102    0.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1976   -0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3587   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9148   -0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4709   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0319   -0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5929   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5929    0.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0319    0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4709    0.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.9148   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2090   -0.2676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5897    0.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2090    0.7805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4228    0.8961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.9791   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.1978    0.8960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5166    0.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7466   -0.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0322   -0.9616    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 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  9 17  1  0  0  0  0 
 12 18  1  0  0  0  0 
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 19 20  1  0  0  0  0 
 20 13  1  0  0  0  0 
  1 21  1  0  0  0  0 
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 24  2  1  0  0  0  0 
 22 25  1  0  0  0  0 
 22 26  1  0  0  0  0 
  5 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  30 
M  SMT   1 OCH3 
M  SBV   1 30   -4.9363    4.1754 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  29  30 
M  SBL   2  1  32 
M  SMT   2 OCH3 
M  SBV   2 32   -5.9288    3.6938 
S  SKP  8 
ID	FL1CHYNP0007 
KNApSAcK_ID	C00007014 
NAME	Pongapinone A 
CAS_RN	150501-60-3,146713-95-3 
FORMULA	C23H22O7 
EXACTMASS	410.136553058 
AVERAGEMASS	410.41658000000007 
SMILES	O(c12)COc(ccc(C(O)=CC(c(c4OC)c(OC)cc(c34)OC(C=C3)(C)C)=O)c2)1 
M  END