Mol:FL5FFCNS0030

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FL5FFCNS0030.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
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    1.0889   -1.3183    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
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  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  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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 14 15  2  0  0  0  0
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  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
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 15 23  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  27
M  SMT   1  OCH3
M  SVB   1 27    0.4331   -1.0033
S  SKP  8
ID	FL5FFCNS0030
KNApSAcK_ID	C00005056
NAME	Wharangin
CAS_RN	571-73-3
FORMULA	C17H12O8
EXACTMASS	344.05321735999996
AVERAGEMASS	344.27238
SMILES	COC(C(=O)2)=C(Oc(c43)c(c(O)cc(OCO4)3)2)c(c1)cc(O)c(O)c1
M  END

</pre>

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