Mol:FL1CHYNI0006

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FL1CHYNI0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
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  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
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  1 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  28  29
M  SBL   2  1  30
M  SMT   2  OCH3
M  SVB   2 30   -2.2524     1.592
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  28
M  SMT   1  OCH3
M  SVB   1 28   -0.2265    1.2943
S  SKP  8
ID	FL1CHYNI0006
KNApSAcK_ID	C00007013
NAME	Pongagallone B
CAS_RN	107585-62-6
FORMULA	C23H24O6
EXACTMASS	396.1572885
AVERAGEMASS	396.43306
SMILES	c(c(C(C=C(O)c(c3)cc(O2)c(c3)OC2)=O)1)(OC)cc(OC)c(CC=C(C)C)c1
M  END

</pre>

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