Mol:FLIAELCS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 38 41  0  0  0  0  0  0  0  0999 V2000 
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  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 
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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