Mol:FL1C1ANF0001

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FL1C1ANF0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.0159    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0159   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4596   -0.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4596    0.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3470   -0.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7654   -0.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3215   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8825   -0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8825    0.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3215    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3470   -0.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6268    0.8021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0044    0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6268   -0.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8960   -0.5204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1815   -0.9329    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
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  2  1  0  0  0  0
 13 20  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
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  SBV   1 23   -6.0782    3.7225
S  SKP  8
ID	FL1C1ANF0001
KNApSAcK_ID	C00007022
NAME	Purpuritenin A
CAS_RN	83728-90-9
FORMULA	C19H16O3
EXACTMASS	292.109944378
AVERAGEMASS	292.32854
SMILES	c(c23)(occ3)ccc(c2OC)C(=O)C=Cc(c1)ccc(C)c1
M  END

</pre>

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