Mol:FL5F39NS0001

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Revision as of 09:00, 7 October 2008

FL5F39NS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
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    2.2357    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6687    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1017   -0.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357    0.4017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452    0.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4086    1.8746    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
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  9 12  1  0  0  0  0
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  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -0.8452    0.9749
S  SKP  8
ID	FL5F39NS0001
KNApSAcK_ID	C00004539
NAME	Zuccagin
CAS_RN	94393-12-1
FORMULA	C16H12O5
EXACTMASS	284.068473494
AVERAGEMASS	284.26348
SMILES	COc(c(O)3)c(O1)c(cc3)C(=O)C(O)=C(c(c2)cccc2)1
M  END

</pre>

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