Mol:FL2FECNS0004

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FL2FECNS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
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    2.0186    0.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0186    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4516    1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8847    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.4528    1.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1740    1.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5676    1.6507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7768   -1.3343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0623   -1.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2539    0.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7538    1.2747    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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  6  1  2  0  0  0  0 
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  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27   -2.2539    0.4086 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25   -1.7768   -1.3343 
S  SKP  8 
ID	FL2FECNS0004 
KNApSAcK_ID	C00008311 
NAME	Agestricin B 
CAS_RN	85563-74-2 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(c41)(OCO4)ccc(C(O2)CC(c(c3OC)c2cc(c3O)OC)=O)c1 
M  END
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