Mol:FL3FA9NI0003

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FL3FA9NI0003.png

 
 
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 27 29  0  0  0  0  0  0  0  0999 V2000 
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    0.5455   -0.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.2356    0.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6686    0.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1016    0.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.6795    2.0526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0369    0.1027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.5598   -1.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8453   -2.0526    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 
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  1 24  1  0  0  0  0 
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  3 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  26  27 
M  SBL   2  1  28 
M  SMT   2  OCH3 
M  SVB   2 28   -1.5598   -1.6401 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26   -2.0369    0.1027 
S  SKP  8 
ID	FL3FA9NI0003 
KNApSAcK_ID	C00004014 
NAME	trans-Tephrostachin 
CAS_RN	80377-43-1 
FORMULA	C22H22O5 
EXACTMASS	366.146723814 
AVERAGEMASS	366.40708000000006 
SMILES	c(c(OC)1)c(OC)c(C(=O)2)c(OC(c(c3)cccc3)=C2)c1C=CC(C)(C)O 
M  END
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