Mol:086a FLIG

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 37  0  0  0  0  0  0  0  0999 V2000 
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   -3.1992   -0.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.0564    1.1011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4019   -0.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.1176    0.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.5929   -1.8394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3094   -0.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5860   -0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1221   -2.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4850    1.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1992    2.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.9134    1.1011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    4.7383   -0.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  2  0 
  3  4  1  0 
  4  5  2  0 
  5  6  1  0 
  6  1  2  0 
  4  7  1  0 
  7  8  1  0 
  8  9  2  0 
  9 10  1  0 
 10  5  1  0 
 11  8  1  0 
  7 12  2  0 
 11 13  2  0 
  1  2  1  0 
 13 14  1  0 
  9 14  1  0 
 11 15  1  0 
 15 16  2  0 
 16 17  1  0 
 17 18  2  0 
 18 13  1  0 
 19 17  1  0 
 20 21  1  0 
 21 18  1  0 
 16 22  1  0 
  6 23  1  0 
 23 24  2  0 
 24 25  1  0 
 25 26  1  0 
 26  1  1  0 
 25 27  1  0 
 25 28  1  0 
  2 29  1  0 
  3 30  1  0 
 20 31  2  0 
 31 32  1  0 
 31 33  1  0 
S  SKP  5 
ID	086a FLIG 
FORMULA	C26H24O7 
EXACTMASS	448.152203122 
AVERAGEMASS	448.46456 
SMILES	c(c1O)(C(=O)5)c(Oc(c53)oc(c(CC=C(C)C)4)c3cc(c4O)O)c(C=2)c(OC(C2)(C)C)c1C 
M  END