Mol:FLIAFCGS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 36 40  0  0  0  0  0  0  0  0999 V2000
   -1.4949    0.8464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9386    0.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3823    0.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1738    0.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1738   -0.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3272   -0.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3272    0.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9384   -0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3823   -0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505   -1.1391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9036   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9036   -1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4549   -1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063   -1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4549   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5988    0.6426    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2526    0.1856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7540    0.3795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2344    0.3738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6225    0.7344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1318    0.5515    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9858    0.8661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5794   -0.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4683   -0.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6118   -1.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6118   -0.2766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043    1.4194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322    2.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8220   -0.6025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1075   -1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3313    1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2867    1.7237    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  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
 29 30  1  0  0  0  0
 30 17  1  0  0  0  0
  3 31  1  0  0  0  0
 31 32  1  0  0  0  0
 11 33  1  0  0  0  0
 33 34  1  0  0  0  0
 24 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  35  36
M  SBL   3  1  39
M  SMT   3  CH2OH
M  SVB   3 39   -3.3313    1.4283
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  33  34
M  SBL   2  1  37
M  SMT   2  OCH3
M  SVB   2 37    -0.822   -0.6025
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  35
M  SMT   1  OCH3
M  SVB   1 35   -0.1043    1.4194
S  SKP  8
ID	FLIAFCGS0002
KNApSAcK_ID	C00010135
NAME	Platycarpanetin 7-O-glucoside
CAS_RN	52783-55-8
FORMULA	C24H24O12
EXACTMASS	504.126776232
AVERAGEMASS	504.44016
SMILES	C(C(c(c5)cc(c4c5)OCO4)=3)(c(c(OC)2)c(OC3)c(c(c2)O[C@@H]([C@H]1O)OC(CO)[C@H](O)[C@@H]1O)OC)=O
M  END

</pre>