Mol:FL5FELNS0011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  28  29 
M  SBL   5  1  30 
M  SMT   5  OCH3 
M  SVB   5 30   -2.5983    0.7355 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  26  27 
M  SBL   4  1  28 
M  SMT   4  OCH3 
M  SVB   4 28     2.241    1.4197 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26   -2.1212   -1.0073 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24     0.183   -0.7319 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22   -2.9555   -0.4342 
S  SKP  8 
ID	FL5FELNS0011 
KNApSAcK_ID	C00004814 
NAME	Apulein 
CAS_RN	20362-24-7 
FORMULA	C20H20O9 
EXACTMASS	404.11073223799997 
AVERAGEMASS	404.3674 
SMILES	O(C)c(c21)c(c(OC)cc(OC(c(c3)c(cc(c(O)3)OC)O)=C(C2=O)OC)1)OC 
M  END