Mol:FL64A9NI0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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   -0.0108   -1.3190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5455   -0.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5455   -0.3555    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0108   -0.0343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2356    0.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6686    0.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1016    0.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2673   -1.8921    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
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  6 17  1  0  0  0  0
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  3 22  1  0  0  0  0
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  1 24  1  0  0  0  0
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  7 26  1  1  0  0  0
 26 27  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  26  27
M  SBL   3  1  28
M  SMT   3  OCH3
M  SVB   3 28   -0.4472   -1.4796
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26   -2.0369    0.2633
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -1.5598   -1.4796
S  SKP  8
ID	FL64A9NI0002
KNApSAcK_ID	C00008983
NAME	Quercetol B
CAS_RN	119061-07-3
FORMULA	C23H28O4
EXACTMASS	368.19875938399997
AVERAGEMASS	368.46602
SMILES	C(C)(C)=CCc(c(OC)3)c(O1)c(c(c3)OC)[C@@H](C[C@@H](c(c2)cccc2)1)OC
M  END

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