Mol:FL1C1AGS0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
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   -3.6173   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0633   -0.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.4031   -0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8517   -0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3016   -0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2368   -0.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7752   -0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.2439    0.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9431   -0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5216   -0.2429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1036   -0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4045    0.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.6852   -0.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0641    0.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9876   -0.0435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3962   -0.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4565   -0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1710   -0.7940    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 
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 15 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
 17 13  1  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
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 24 28  1  0  0  0  0 
 21 29  1  0  0  0  0 
 12 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  32 
M  SMT   1 CH2OH 
M  SBV   1 32   -4.5802    5.5544 
S  SKP  8 
ID	FL1C1AGS0007 
KNApSAcK_ID	C00007189 
NAME	Monospermoside 
CAS_RN	- 
FORMULA	C21H22O10 
EXACTMASS	434.121296924 
AVERAGEMASS	434.39338 
SMILES	Oc(c1)cc(O)c(C(=O)C=Cc(c2)ccc(O)c2OC(O3)C(O)C(O)C(O)C3CO)c1 
M  END