Mol:FLII9CNM0001

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FLII9CNM0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.4612    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4612    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9049    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2359    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9149   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5097   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5097    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9149    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7905   -0.6761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1039    0.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359    0.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3757   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2418   -1.6763    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 11  2  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  9  2  0  0  0  0
  1  2  1  0  0  0  0
  7 15  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
  8 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20    1.7467   -0.8826
S  SKP  8
ID	FLII9CNM0001
KNApSAcK_ID	C00009800
NAME	Parvifuran;5-Hydroxy-6-methoxy-3-methyl-2-phenylbenzofuran
CAS_RN	69470-93-5
FORMULA	C16H14O3
EXACTMASS	254.094294314
AVERAGEMASS	254.28056
SMILES	COc(c1)c(O)cc(c(C)2)c1oc(c(c3)cccc3)2
M  END

</pre>

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