Mol:FL1CAENI0002

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FL1CAENI0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 33  0  0  0  0  0  0  0  0999 V2000
    1.3126    1.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9811   -1.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8689   -1.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9813    1.5920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958    1.1795    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
  4 19  1  0  0  0  0
 20 14  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  3 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
  5 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  32
M  SMT   1 OCH3
M  SBV   1 32   -5.7172    5.0158
S  SKP  8
ID	FL1CAENI0002
KNApSAcK_ID	C00007116
NAME	Antiarone C
CAS_RN	130756-16-0
FORMULA	C26H30O6
EXACTMASS	438.204238692
AVERAGEMASS	438.51279999999997
SMILES	c(c1C(C=Cc(c2CC=C(C)C)ccc(c2O)OC)=O)(O)c(CC=C(C)C)c(cc(O)1)O
M  END

</pre>

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