Mol:FL3FF8NS0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
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   -1.9630   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2622    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.8183    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.5191    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5191    0.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1286    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6920    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9542   -0.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
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 14 15  2  0  0  0  0 
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  3 18  1  0  0  0  0 
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  6 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 13 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26    0.9542   -0.0186 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -1.1286    1.0455 
S  SKP  8 
ID	FL3FF8NS0013 
KNApSAcK_ID	C00003954 
NAME	Ganhuangenin 
CAS_RN	92519-91-0 
FORMULA	C17H14O8 
EXACTMASS	346.068867424 
AVERAGEMASS	346.28826 
SMILES	COc(c(O)3)c(c(O)cc3)C(=C1)Oc(c(OC)2)c(c(O)cc(O)2)C(=O)1 
M  END