Mol:FL3FALNS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.4197    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1944    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    0.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3617    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0624    1.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7769    0.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769    0.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2769    1.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4956    2.4661    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  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 15 16  1  0  0  0  0
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  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
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  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25    0.0044    1.6001
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -2.7769    0.6243
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21    2.0624    1.3086
S  SKP  8
ID	FL3FALNS0004
KNApSAcK_ID	C00003861
NAME	Noratocarpetin 7,2',4'-trimethyl ether
CAS_RN	132718-84-4
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	O(C(c(c(OC)3)ccc(OC)c3)=2)c(c1C(=O)C2)cc(OC)cc1O
M  END

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