Mol:FL5FDAGS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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    0.5218   -3.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0297   -2.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5740   -2.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1254   -2.9089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2369   -2.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7448   -1.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1412   -2.0831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.4715   -1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5852   -0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0837    0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4685   -0.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3549   -0.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9021   -4.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.4387    1.3924    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.4987    1.9232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  3  4  1  0  0  0  0 
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  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 
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  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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 15 16  1  0  0  0  0 
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  3 18  1  0  0  0  0 
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 23 33  1  0  0  0  0 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  33  34 
M  SBL   3  1  36 
M  SMT   3  CH2OH 
M  SVB   3 36    3.0543    1.0697 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  34 
M  SMT   2  OCH3 
M  SVB   2 34   -3.7688    0.4269 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32   -0.7879    -1.666 
S  SKP  8 
ID	FL5FDAGS0004 
KNApSAcK_ID	C00005297 
NAME	Camaroside 
CAS_RN	150853-97-7 
FORMULA	C23H24O11 
EXACTMASS	476.13186161 
AVERAGEMASS	476.43006 
SMILES	COC(=C(c(c4)ccc(c4)O[C@@H](C(O)3)O[C@H](CO)[C@H](O)C3O)1)C(c(c2O)c(cc(c2)OC)O1)=O 
M  END