Mol:FL5FFANS0002

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FL5FFANS0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
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   -0.2948    0.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2361    0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7057    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7057   -0.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0457    0.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362    1.8766    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  2  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
  8 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -1.0457    0.9643
S  SKP  8
ID	FL5FFANS0002
KNApSAcK_ID	C00001100
NAME	Sexangularetin
CAS_RN	571-74-4
FORMULA	C16H12O7
EXACTMASS	316.058302738
AVERAGEMASS	316.26228000000003
SMILES	COc(c(O)3)c(O1)c(c(O)c3)C(=O)C(O)=C(c(c2)ccc(O)c2)1
M  END

</pre>

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