Mol:FL2FCCNS0001

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FL2FCCNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
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    0.1628   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1628   -0.1760    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.3935    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7189    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2859   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8528    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8528    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2859    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7189    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935   -1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4197    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2859    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197    0.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9197    1.3088    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 
  7 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -2.4197    0.4428 
S  SKP  8 
ID	FL2FCCNS0001 
KNApSAcK_ID	C00008304 
NAME	Sternbin 
CAS_RN	51857-11-5 
FORMULA	C16H14O6 
EXACTMASS	302.07903818 
AVERAGEMASS	302.27876000000003 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)cc(O)c(O)c2 
M  END
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