Mol:FL1DE9NP0001

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FL1DE9NP0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
    1.7267    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7267   -0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1915   -0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6562   -0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6562    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1915    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1592   -0.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6948   -0.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2304   -0.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2328   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2304   -1.0815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2328    0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7163    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1999    0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1999   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7163   -0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7163   -1.1166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6834    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1669    0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1669   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6834   -0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5507    0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6562    0.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7163    1.1166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2506    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9651    0.1458    0.0000 C   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 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  7  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 
 16 10  1  0  0  0  0 
 16 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 15  1  0  0  0  0 
 19 22  1  0  0  0  0 
 19 23  1  0  0  0  0 
 13 24  1  0  0  0  0 
 12 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1 OCH3 
M  SBV   1 27   -5.2932    4.6210 
S  SKP  8 
ID	FL1DE9NP0001 
KNApSAcK_ID	C00008010 
NAME	Flemistrictin D 
CAS_RN	84435-30-3 
FORMULA	C21H22O5 
EXACTMASS	354.146723814 
AVERAGEMASS	354.39638 
SMILES	COc(c(O)2)c(c(O)c(C=3)c2OC(C3)(C)C)C(=O)CCc(c1)cccc1 
M  END
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