Mol:FL7ABGNS0001

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FL7ABGNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.9630   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8504   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2941   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941    0.1107    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.8183    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853   -0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    1.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191    0.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183   -1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8431   -1.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286   -1.7471    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 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 11  1  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
 15 20  1  0  0  0  0
 13 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1 OCH3
M  SBV   1 24   -7.9640    7.5490
S  SKP  8
ID	FL7ABGNS0001
KNApSAcK_ID	C00006617
NAME	Pulchellidin
CAS_RN	19077-86-2
FORMULA	C16H13O7
EXACTMASS	317.06612777
AVERAGEMASS	317.27022
SMILES	COc(c3)c(c2)c(cc(O)3)[o+1]c(c(O)2)c(c1)cc(O)c(O)c(O)1
M  END

</pre>

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