Mol:FL63ACNC0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 38 41  0  0  0  0  0  0  0  0999 V2000
   -0.7245   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7245   -1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1682   -1.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3881   -1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3881   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1682   -0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9444   -1.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5007   -1.4104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5007   -0.7680    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9444   -0.4468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0568   -0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6237   -0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1907   -0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1907    0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6237    0.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0568    0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7575    0.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1682   -2.3737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0568   -1.7314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6237    1.1896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1682    0.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7435    0.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7435    1.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2592    1.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7750    1.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7750    0.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2592    0.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2906    0.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2906   -0.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8062    0.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3218    0.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2278    1.7782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2592    2.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6006    0.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2806   -0.4470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7575    0.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1322    2.0993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6321    2.9654    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  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
 14 17  1  0  0  0  0
  3 18  1  0  0  0  0
  8 19  1  1  0  0  0
 15 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 24 33  1  0  0  0  0
 27 34  1  0  0  0  0
  1 35  1  0  0  0  0
 31 36  1  0  0  0  0
 25 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  37  38
M  SBL   1  1  40
M  SMT   1  OCH3
M  SVB   1 40   -2.1322    2.0993
S  SKP  8
ID	FL63ACNC0004
KNApSAcK_ID	C00008972
NAME	Pilosanol C
CAS_RN	142542-78-7
FORMULA	C28H30O10
EXACTMASS	526.18389718
AVERAGEMASS	526.5318
SMILES	[C@H]([C@@H](c(c4)cc(c(c4)O)O)1)(Cc(c(O)3)c(c(c(O)c3)Cc(c2O)c(c(C(CCC)=O)c(c2C)OC)O)O1)O
M  END

</pre>