Mol:FL5FAAGA0005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 47  0  0  0  0  0  0  0  0999 V2000
   -3.1355    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1355    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5792    0.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0229    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0229    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5792    1.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4666    0.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4666    1.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4666   -0.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542    1.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2128    1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7798    1.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7798    2.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2128    2.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542    2.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5792   -0.3363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6916    1.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3466    2.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4699   -1.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1583   -2.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0410   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1583   -0.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4699   -0.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706   -1.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4699    0.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0035   -0.3495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4209   -1.9219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0101    0.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5257   -0.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2682   -0.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9847   -0.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    0.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8145   -0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219   -0.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6937   -1.0123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2978   -0.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9693   -2.1354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9771    0.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6916   -0.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8899   -2.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755   -2.5725    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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 15 20  1  0  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 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 21  1  1  0  0  0
 25 27  1  0  0  0  0
 24 28  1  0  0  0  0
 23 29  1  0  0  0  0
 30 31  1  1  0  0  0
 31 32  1  1  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
 30 28  1  0  0  0  0
 33 38  1  0  0  0  0
 22 39  1  0  0  0  0
 27  8  1  0  0  0  0
 34 40  1  0  0  0  0
 40 41  1  0  0  0  0
 21 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  40  41
M  SBL   1  1  44
M  SMT   1 CH2OH
M  SBV   1 44   -5.7327    4.2251
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  42  43
M  SBL   2  1  46
M  SMT   2 CH2OH
M  SBV   2 46   -6.6658    4.0282
S  SKP  8
ID	FL5FAAGA0005
KNApSAcK_ID	C00005157
NAME	Panasenoside
CAS_RN	31512-06-8
FORMULA	C27H30O16
EXACTMASS	610.153384912
AVERAGEMASS	610.5175
SMILES	c(O2)(c(C(C(OC(C4OC(C5O)OC(C(C5O)O)CO)OC(CO)C(C(O)4)O)=C2c(c3)ccc(c3)O)=O)1)cc(O)cc1O
M  END

</pre>