Mol:FL2FACCS0001

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FL2FACCS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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   -0.3538   -0.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3538   -2.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1020    0.3214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067    1.1978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7957    1.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0812    0.9831    0.0000 O   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  1  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
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 14  9  1  0  0  0  0
 17 20  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
  6 24  1  0  0  0  0
 18 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1 CH2OH
M  SBV   1 34   -7.1641    5.7675
S  SKP  8
ID	FL2FACCS0001
KNApSAcK_ID	C00006362
NAME	8-C-Glucopyranosyleriodictylol
CAS_RN	153733-96-1
FORMULA	C21H22O11
EXACTMASS	450.116211546
AVERAGEMASS	450.39278
SMILES	C(C(O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)CC2c(c3)cc(c(O)c3)O)OC(CO)C(O)C1O
M  END

</pre>

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