Mol:FL5FFCNS0003

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FL5FFCNS0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
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    2.4197    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197    0.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
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  8 18  1  0  0  0  0
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  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25   -2.4197    0.4428
S  SKP  8
ID	FL5FFCNS0003
KNApSAcK_ID	C00004723
NAME	Ranupetin
CAS_RN	18799-01-4
FORMULA	C16H12O8
EXACTMASS	332.05321735999996
AVERAGEMASS	332.26168
SMILES	COc(c3)c(O)c(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(O)c(O)c2
M  END

</pre>

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