Mol:FL5FFANS0003

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FL5FFANS0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.2249    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2249   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7244   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7244    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2231    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7235    0.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2770    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8074    0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3377    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3377    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8074    1.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2770    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7235   -1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7244   -1.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2770   -0.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8676    1.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5821    0.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744    0.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0649    1.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5821    0.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0821    1.6032    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
  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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6 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   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26   -2.5821    0.7372
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24   -1.4744    0.9643
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22    1.8676    1.3256
S  SKP  8
ID	FL5FFANS0003
KNApSAcK_ID	C00001104
NAME	Tambulin
CAS_RN	571-72-2
FORMULA	C18H16O7
EXACTMASS	344.089602866
AVERAGEMASS	344.31543999999997
SMILES	c(c1OC)(OC)cc(c(C2=O)c(OC(c(c3)ccc(OC)c3)=C2O)1)O
M  END

</pre>

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