Mol:FL5FAJNM0001

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FL5FAJNM0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
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    1.0281    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.1618    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8763    0.7145    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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  9 10  1  0  0  0  0 
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  8 18  1  0  0  0  0 
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  2 22  1  0  0  0  0 
 14 23  1  0  0  0  0 
 15 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
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  SBV   1 26   -6.3693    3.6782 
S  SKP  8 
ID	FL5FAJNM0001 
KNApSAcK_ID	C00004909 
NAME	Dumosol 
CAS_RN	69935-13-3 
FORMULA	C17H14O8 
EXACTMASS	346.068867424 
AVERAGEMASS	346.28826 
SMILES	COc(c(O)3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c(C)2)1 
M  END
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