Mol:FL6FHYNI0001

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FL6FHYNI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
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   -1.6797   -0.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1234   -1.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5671   -0.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5671   -0.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1234   -0.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0108   -1.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5455   -0.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5455   -0.3555    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0108   -0.0343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1016   -0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6686   -0.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2356   -0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2356    0.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6686    0.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1016    0.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1234    0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6795    0.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6795    1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2356    1.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1234    1.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0369    0.2633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5368    1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5598   -1.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8453   -1.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9440   -1.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3391   -2.2006    0.0000 C   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 
  4  7  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 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 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 11  1  0  0  0  0 
  6 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  9 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  26  27 
M  SBL   3  1  28 
M  SMT   3  OCH3 
M  SVB   3 28     0.944    -1.282 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26   -1.5598   -1.4796 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -2.0369    0.2633 
S  SKP  8 
ID	FL6FHYNI0001 
KNApSAcK_ID	C00008785 
NAME	Tephrowatsin D 
CAS_RN	97640-82-9 
FORMULA	C23H28O4 
EXACTMASS	368.19875938399997 
AVERAGEMASS	368.46602 
SMILES	C(C)(C)=CCc(c(OC)3)c(c(c(OC)c3)1)OC(c(c2)cccc2)(CC1)OC 
M  END
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