Mol:FLIH3LNF0001

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FLIH3LNF0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 31  0  0  0  0  0  0  0  0999 V2000
    4.1507   -0.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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    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
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  9 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23  2  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 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  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

</pre>

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