Mol:FL1C28NP0003

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FL1C28NP0003.png

 
 
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 31 33  0  0  0  0  0  0  0  0999 V2000 
    3.0866    0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0866   -0.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6429   -0.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1992   -0.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1992    0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6429    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.3973   -1.2737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.6429   -1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9253    0.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8214    0.6578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0022   -0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.6515    0.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2837    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5305    0.6309    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 
 10 12  2  0  0  0  0 
 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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 16 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 20 19  1  0  0  0  0 
  3 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 14 23  1  0  0  0  0 
 20 23  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 20 24  1  0  0  0  0 
 13 30  1  0  0  0  0 
  1 31  1  0  0  0  0 
S  SKP  8 
ID	FL1C28NP0003 
KNApSAcK_ID	C00007153 
NAME	Flemingin B 
CAS_RN	18361-42-7 
FORMULA	C25H26O6 
EXACTMASS	422.172938564 
AVERAGEMASS	422.47033999999996 
SMILES	C(CC(C=3)(Oc(c1C3)c(cc(C(=O)C=Cc(c2O)c(ccc2)O)c(O)1)O)C)C=C(C)C 
M  END
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