Mol:FLIH3LNF0001

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FLIH3LNF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 31  0  0  0  0  0  0  0  0999 V2000 
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    3.6964   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.3639   -1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9844   -1.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.1977   -2.3156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.3250   -2.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4110   -3.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4360   -2.8611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3285   -3.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3498   -3.6469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7231   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6225    0.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9881    0.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1930   -2.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5205   -3.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5586   -1.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7617   -1.4528    0.0000 C   0  0  0  0  0  0  0  0  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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
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  8 11  1  0  0  0  0 
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 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  30 
M  SMT   2  OCH3 
M  SVB   2 30    0.0472   -1.0403 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28   -1.1853    1.4528 
S  SKP  8 
ID	FLIH3LNF0001 
KNApSAcK_ID	C00009784 
NAME	Neofolin 
CAS_RN	10338-02-0 
FORMULA	C20H14O7 
EXACTMASS	366.073952802 
AVERAGEMASS	366.32096 
SMILES	COc(c2)c(C(C(=O)3)=Cc(c4)c(c(c(o5)c(cc5)4)OC)O3)cc(c12)OCO1 
M  END
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