Mol:FL5FECNS0020

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
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   -2.3202   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5950    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1618    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763    0.7145    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
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
  1 21  1  0  0  0  0
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  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 15 25  1  0  0  0  0
 25 26  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  27
M  SMT   3  OCH3
M  SVB   3 27    2.1618     1.127
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25    0.1038   -1.0246
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23   -2.6775    0.4428
S  SKP  8
ID	FL5FECNS0020
KNApSAcK_ID	C00004696
NAME	Oxyayanin-B
CAS_RN	548-74-3
FORMULA	C18H16O8
EXACTMASS	360.08451748799996
AVERAGEMASS	360.31484
SMILES	c(c3O)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(O)c(OC)c2)OC)=O
M  END

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