Mol:FL1C19NI0003

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FL1C19NI0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 25  0  0  0  0  0  0  0  0999 V2000
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   -1.1179   -0.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6634   -0.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2195   -0.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7805   -0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3415   -0.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3415    0.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7805    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2195    0.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510   -0.9713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5616   -1.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2305   -0.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6742   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7866   -0.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3415   -0.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7866   -1.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4751    1.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9751    1.9783    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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
 17  3  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -1.4751    1.1123
S  SKP  8
ID	FL1C19NI0003
KNApSAcK_ID	C00007052
NAME	Derricin
CAS_RN	38965-77-4
FORMULA	C21H22O3
EXACTMASS	322.15689456999996
AVERAGEMASS	322.39758
SMILES	C(c(c1O)c(ccc1C(=O)C=Cc(c2)cccc2)OC)C=C(C)C
M  END

</pre>

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