Mol:FL1C1ANP0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
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    1.4578    0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.5704    1.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0141    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2008    0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7571    0.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.1267    1.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.0215   -0.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.1267   -0.8720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4642   -1.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5321   -1.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5740    1.3614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
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 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
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 17  5  1  0  0  0  0 
 15 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 16  1  0  0  0  0 
 19 22  1  0  0  0  0 
 20 23  1  0  0  0  0 
 20 24  1  0  0  0  0 
 14 25  1  0  0  0  0 
S  SKP  8 
ID	FL1C1ANP0003 
KNApSAcK_ID	C00007062 
NAME	Bavachromanol 
CAS_RN	74061-77-1 
FORMULA	C20H20O5 
EXACTMASS	340.13107375 
AVERAGEMASS	340.3698 
SMILES	Oc(c3)ccc(c3)C=CC(=O)c(c2)c(c1c(c2)O)OC(C)(C)C(O)C1 
M  END