Mol:FLIAEGGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 37 40  0  0  0  0  0  0  0  0999 V2000
   -1.4594    1.1322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9031    0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3468    1.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093    0.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7861   -0.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    0.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7861    1.1442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9029    0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3468   -0.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7861   -0.8533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391   -0.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905   -1.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418   -0.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905    0.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5633    0.9285    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2170    0.4714    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7184    0.6653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1988    0.6596    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5869    1.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0963    0.8373    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9503    1.1520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5439    0.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4328    0.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -0.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5932    0.1308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173    0.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173   -0.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9078   -1.3242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7738   -1.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2957    1.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2510    2.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517   -1.3016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7662   -1.7141    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
 11 28  1  0  0  0  0
 17 29  1  0  0  0  0
 10 30  1  0  0  0  0
 30 31  1  0  0  0  0
 16 32  1  0  0  0  0
 32 33  1  0  0  0  0
 24 34  1  0  0  0  0
 34 35  1  0  0  0  0
 15 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  34  35
M  SBL   4  1  37
M  SMT   4  CH2OH
M  SVB   4 37   -3.2957    1.7141
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  36  37
M  SBL   3  1  39
M  SMT   3  OCH3
M  SVB   3 39    2.0517   -1.3016
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    3.2359   -1.0304
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33   -1.6173    0.2611
S  SKP  8
ID	FLIAEGGS0001
KNApSAcK_ID	C00010137
NAME	Irigenin 7-O-glucoside;Iridin
CAS_RN	491-74-7
FORMULA	C24H26O13
EXACTMASS	522.137340918
AVERAGEMASS	522.45544
SMILES	[C@@H](Oc(c2OC)cc(O4)c(C(=O)C(=C4)c(c3)cc(c(OC)c(OC)3)O)c2O)([C@H]1O)OC(CO)[C@H](O)[C@@H]1O
M  END

</pre>