Mol:FL1C3CGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 34  0  0  0  0  0  0  0  0999 V2000 
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    2.2202    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7586   -0.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2970    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2970    0.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.5804   -0.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.0281    0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8250    0.2164    0.0000 O   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  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  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 
  3 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
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 25 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  33 
M  SMT   1 ^CH2OH 
M  SBV   1 33   -8.9553    5.3539 
S  SKP  8 
ID	FL1C3CGS0001 
KNApSAcK_ID	C00007892 
NAME	Okanin 3'-glucoside 
CAS_RN	115070-76-3 
FORMULA	C21H22O11 
EXACTMASS	450.116211546 
AVERAGEMASS	450.39278 
SMILES	C(C1Oc(c2O)c(ccc2C(=O)C=Cc(c3)cc(c(O)c3)O)O)(O)C(O)C(O)C(O1)CO 
M  END