Mol:FL2FEAGS0001

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FL2FEAGS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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   -0.4390   -2.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5941   -1.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6403   -1.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1676   -2.5446    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
  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
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  2 21  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 20  1  0  0  0  0
 27 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  SVB   1 34   -1.6403   -1.6949
S  SKP  8
ID	FL2FEAGS0001
KNApSAcK_ID	C00008231
NAME	Carthamidin 5-glucoside
CAS_RN	519-39-1
FORMULA	C21H22O11
EXACTMASS	450.116211546
AVERAGEMASS	450.39278
SMILES	[C@@H]([C@@H]1Oc(c42)c(O)c(O)cc2OC(CC4=O)c(c3)ccc(O)c3)(O)[C@@H](O)[C@@H](O)C(O1)CO
M  END

</pre>

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