Mol:FLIAELCS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 38 41  0  0  0  0  0  0  0  0999 V2000
   -2.0280   -0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280   -1.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717   -1.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9154   -1.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9154   -0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717   -0.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3591   -1.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1972   -1.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1972   -0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3591   -0.1683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5841   -0.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3591   -1.9952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3639    2.1960    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8181    1.7418    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5000    1.1838    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5000    0.5416    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0458    0.9957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3639    1.5538    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0953    2.9340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6351    1.9607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519    0.8319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7990   -2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3278   -2.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8565   -2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8565   -1.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3278   -1.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7990   -1.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717   -2.0952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5921   -0.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3066   -1.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7225   -2.5842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5886   -3.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7425   -1.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5394   -1.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5702    1.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0593    2.4035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8777   -2.5421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5921   -2.9546    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  1  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
  6 16  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
 27  8  1  0  0  0  0
  3 28  1  0  0  0  0
 26 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
  2 33  1  0  0  0  0
 33 34  1  0  0  0  0
 18 35  1  0  0  0  0
 35 36  1  0  0  0  0
 23 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  35  36
M  SBL   5  1  38
M  SMT   5  CH2OH
M  SVB   5 38   -0.5702    1.5438
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  37  38
M  SBL   4  1  40
M  SMT   4  OCH3
M  SVB   4 40    0.8777   -2.5421
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  33  34
M  SBL   3  1  36
M  SMT   3  OCH3
M  SVB   3 36   -2.7425   -1.0404
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  34
M  SMT   2  OCH3
M  SVB   2 34     2.028   -2.2905
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    1.5921   -0.6033
S  SKP  8
ID	FLIAELCS0001
KNApSAcK_ID	C00006165
NAME	Dalpaniculin
CAS_RN	133956-26-0
FORMULA	C25H28O13
EXACTMASS	536.152990982
AVERAGEMASS	536.48202
SMILES	COc(c1O)c(O)c(C(=O)3)c(OC=C(c(c4OC)cc(c(c4)OC)OC)3)c1[C@@H]([C@H]2O)OC([C@@H]([C@@H]2O)O)CO
M  END

</pre>