Mol:FLIAEAGS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
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   -0.9031    0.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3468    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093    0.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093    0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7861   -0.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    0.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7861    1.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9029    0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3468   -0.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7861   -0.9889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391   -0.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391   -0.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905   -1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418   -0.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418   -0.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905   -0.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5633    0.7929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2170    0.3358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7184    0.5297    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1988    0.5240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5869    0.8846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0963    0.7017    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9503    1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5438   -0.0945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4328    0.0501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -0.9283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9078   -1.4598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7738   -1.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2957    1.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2510    1.8740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173    0.1255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173   -0.6994    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
 16 29  1  0  0  0  0
 29 30  1  0  0  0  0
 24 31  1  0  0  0  0
 31 32  1  0  0  0  0
 10 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  31  32
M  SBL   3  1  34
M  SMT   3  CH2OH
M  SVB   3 34   -3.2957    1.5785
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  33  34
M  SBL   2  1  36
M  SMT   2  OCH3
M  SVB   2 36   -1.6173    0.1255
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32    3.2359    -1.166
S  SKP  8
ID	FLIAEAGS0004
KNApSAcK_ID	C00010125
NAME	Irisolidone 7-O-glucoside;Kakkalidone
CAS_RN	6009-88-7
FORMULA	C23H24O11
EXACTMASS	476.13186161
AVERAGEMASS	476.43006
SMILES	COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(C1=O)c(c3)OC=C1c(c2)ccc(c2)OC)O
M  END

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