Mol:FLIB1LNF0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  28 
M  SMT   3  OCH3 
M  SVB   3 28   -0.0787   -0.6069 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26    2.4196    0.3535 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24    2.0623   -0.8826 
S  SKP  8 
ID	FLIB1LNF0004 
KNApSAcK_ID	C00009550 
NAME	Ambonone 
CAS_RN	76165-17-8 
FORMULA	C20H18O6 
EXACTMASS	354.110338308 
AVERAGEMASS	354.35332 
SMILES	COc(c1)c(C(C(=O)2)COc(c3)c2cc(c4)c(oc4)3)cc(OC)c1OC 
M  END