Mol:FL5F1CGS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
   -2.3233   -2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0518   -2.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4119   -2.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0435   -2.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3149   -1.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9548   -1.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4035   -2.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0351   -1.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065   -1.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9465   -1.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1919   -2.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0617   -0.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7139   -0.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0895   -0.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8128    0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1606    0.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149   -0.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9630   -2.1967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5409   -2.1040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7191    0.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9666    1.4840    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6712    0.9724    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2392    1.1347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8107    0.9724    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1062    1.4840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5381    1.3217    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7884    1.9737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    1.7877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5324    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1739    0.9852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1947    1.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0053    0.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0053   -0.1363    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  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 22 20  1  0  0  0  0
 20 15  1  0  0  0  0
 16 30  1  0  0  0  0
 30 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  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  35
M  SMT   2  CH2OH
M  SVB   2 35    3.1537    0.9991
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    0.3196    1.6168
S  SKP  8
ID	FL5F1CGS0004
KNApSAcK_ID	C00005305
NAME	Geraldol 4'-glucoside
CAS_RN	24502-05-4
FORMULA	C22H22O11
EXACTMASS	462.116211546
AVERAGEMASS	462.40348000000006
SMILES	OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c1)c(OC)cc(C(O3)=C(O)C(=O)c(c32)ccc(O)c2)c1
M  END

</pre>