Mol:FL1AACGS0001

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FL1AACGS0001.png

 
 
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 32 35  0  0  0  0  0  0  0  0999 V2000 
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   -2.0647    1.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8573    0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9  2  1  0  0  0  0 
  4 10  1  0  0  0  0 
  8 11  2  0  0  0  0 
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  7 19  2  0  0  0  0 
 16 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
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 21 25  1  0  0  0  0 
 27 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  34 
M  SMT   1 ^CH2OH 
M  SBV   1 34   -7.4807    6.7327 
S  SKP  8 
ID	FL1AACGS0001 
KNApSAcK_ID	C00008045 
NAME	Cernuoside 
CAS_RN	480-69-3 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	C(C1Oc(c32)cc(O)cc2oc(=Cc(c4)ccc(c4O)O)c3=O)(O)C(O)C(O)C(O1)CO 
M  END
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