Mol:FLIFWYNS0005

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FLIFWYNS0005.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 30  0  0  0  0  0  0  0  0999 V2000
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   -2.5605   -0.9856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607   -2.0155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785    0.7783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3641    1.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3641    2.0158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6496    0.7783    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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  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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  9 17  1  0  0  0  0
  7 18  2  0  0  0  0
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  3 21  1  0  0  0  0
  2 22  1  0  0  0  0
 14 23  1  0  0  0  0
 17 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  24  25  26  27
M  SBL   1  1  27
M  SMT   1 ^OCOCH3
M  SBV   1 27   -4.6793    3.9017
S  SKP  8
ID	FLIFWYNS0005
KNApSAcK_ID	C00009988
NAME	Repenol;6a,12a-Dehydro-3,9,10,11-tetrahydroxy-6-acetoxyrotenone
CAS_RN	128486-16-8
FORMULA	C18H12O9
EXACTMASS	372.048131982
AVERAGEMASS	372.28247999999996
SMILES	O(c12)C(C(O3)=C(C(c(c4O)c3cc(c4O)O)=O)c1ccc(O)c2)OC(C)=O
M  END

</pre>

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