Mol:FLIFHXNS0004

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FLIFHXNS0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
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   -0.0573    0.2746    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6136    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -1.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6398    0.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6762   -1.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5543   -1.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8282    1.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1137    1.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1137    2.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3992    1.0656    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
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  9 17  1  0  0  0  0
  7 18  2  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
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  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 17 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  28
M  SMT   3  OCH3
M  SVB   3 28    1.9253   -1.5819
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26    0.6762   -1.8906
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -2.6398    0.8933
S  SKP  8
ID	FLIFHXNS0004
KNApSAcK_ID	C00009976
NAME	6-Acetyldihydrostemonal;11-Hydroxy-2,3,9-trimethoxy-6-acetoxyrotenone
CAS_RN	125164-62-7
FORMULA	C21H20O9
EXACTMASS	416.11073223799997
AVERAGEMASS	416.37809999999996
SMILES	CC(=O)OC(C42)Oc(c(C2C(c(c(O4)3)c(cc(OC)c3)O)=O)1)cc(OC)c(OC)c1
M  END

</pre>

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