Mol:FLIA2AGS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
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   -0.9031    0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7861   -0.9140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391   -0.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905   -1.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418   -0.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7184    0.6046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1988    0.5989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5869    0.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0963    0.7766    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.0084    0.9067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5438   -0.0196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7738   -1.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658    1.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3516    1.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173    0.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173   -0.6245    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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22  1  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
 10 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  30  31
M  SBL   3  1  33
M  SMT   3  CH2OH
M  SVB   3 33   -3.3658    1.5037
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  OCH3
M  SVB   2 35   -1.6173    0.2004
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  28  29
M  SBL   1  1  31
M  SMT   1  OCH3
M  SVB   1 31    3.2359   -1.0912
S  SKP  8
ID	FLIA2AGS0004
KNApSAcK_ID	C00010093
NAME	Afrormosin 7-O-glucoside;Wistin
CAS_RN	19046-26-5
FORMULA	C23H24O10
EXACTMASS	460.136946988
AVERAGEMASS	460.43066
SMILES	O[C@@H]([C@H]1O)[C@H](Oc(c2)c(cc(C3=O)c2OC=C3c(c4)ccc(c4)OC)OC)OC(CO)[C@@H]1O
M  END

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