Mol:FLIC1LGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
   -1.3907    1.0593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8344    0.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2781    1.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2780    0.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2780    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547   -0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4314    0.0722    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4314    0.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547    1.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2781   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0078   -0.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0078   -0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5591   -1.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1105   -0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1105   -0.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5591    0.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5359    0.6905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1896    0.2335    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6910    0.4274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1714    0.4216    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5595    0.7822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0689    0.5993    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.3763    0.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7294    0.2072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4054   -0.0522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5591    0.6944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618    0.0578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763   -0.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9766   -1.3970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8426   -1.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6426    1.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0551    2.0576    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  7  1  0  0  0  0
  7  8  1  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
  7 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 19  1  1  0  0  0
 19 20  1  1  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21  1  1  0  0  0  0
 17 27  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  1  0  0  0  0
 15 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 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  32  33
M  SBL   3  1  35
M  SMT   3  CH2OH
M  SVB   3 35   -3.2745    1.5159
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  30  31
M  SBL   2  1  33
M  SMT   2  OCH3
M  SVB   2 33    3.3046   -1.1034
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    3.6618    0.0578
S  SKP  8
ID	FLIC1LGS0001
KNApSAcK_ID	C00010190
NAME	Isomucronulator 7-O-glucoside
CAS_RN	136087-29-1
FORMULA	C23H28O10
EXACTMASS	464.168247116
AVERAGEMASS	464.46242000000007
SMILES	O(c(c(O)1)c(OC)ccc1C(C4)Cc(c(O4)2)ccc(O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)c2)C
M  END

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