Mol:FL5FF9NS0015

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
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    0.4074   -1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
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  6  1  2  0  0  0  0 
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  1 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  27  28 
M  SBL   2  1  29 
M  SMT   2  OCH3 
M  SVB   2 29   -1.6188    0.4683 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27    1.1625    -0.999 
S  SKP  8 
ID	FL5FF9NS0015 
KNApSAcK_ID	C00004920 
NAME	Isognaphalin 8-butyrate 
CAS_RN	98204-85-4 
FORMULA	C21H20O7 
EXACTMASS	384.120902994 
AVERAGEMASS	384.37929999999994 
SMILES	COc(c3)c(c(c(c(O)3)2)OC(=C(C2=O)OC)c(c1)cccc1)OC(=O)CCC 
M  END