Mol:FLIAECGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 39  0  0  0  0  0  0  0  0999 V2000
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    3.6548   -0.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0596   -0.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6507   -1.5473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4246    0.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2906    1.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  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 12  1  0  0  0  0
 18 15  1  0  0  0  0
 10 19  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 18 20  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
  1 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31  9  1  0  0  0  0
 22 32  1  0  0  0  0
 32 33  1  0  0  0  0
 16 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  36
M  SMT   2  CH2OH
M  SVB   2 36    2.9362   -1.1348
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  34  35
M  SBL   1  1  38
M  SMT   1  OCH3
M  SVB   1 38    1.4246    0.5339
S  SKP  8
ID	FLIAECGS0001
KNApSAcK_ID	C00010128
NAME	Iriflogenin 4'-O-glucoside;Irifloside
CAS_RN	52591-09-0
FORMULA	C23H22O12
EXACTMASS	490.111126168
AVERAGEMASS	490.41358
SMILES	O(c12)COc1c(c(C3=O)c(OC=C3c(c5)cc(OC)c(c5)O[C@@H](C(O)4)O[C@H](CO)[C@@H](C4O)O)c2)O
M  END

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