Mol:FL6FWXNI0001

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FL6FWXNI0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
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   -2.0396    0.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5396    1.1308    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
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  6  1  2  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 11  1  6  0  0  0
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  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26   -2.0396    0.2648
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  SVB   1 24   -1.5625    -1.478
S  SKP  8
ID	FL6FWXNI0001
KNApSAcK_ID	C00008792
NAME	Tephrowatsin B
CAS_RN	97640-80-7
FORMULA	C22H24O3
EXACTMASS	336.172544634
AVERAGEMASS	336.42416000000003
SMILES	C(C)(C)=CCc(c12)c(cc(OC)c(C=C[C@@H](c(c3)cccc3)O2)1)OC
M  END

</pre>

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