Mol:FLIE1CNI0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  31 
M  SMT   1 OCH3 
M  SBV   1 31   -6.2802    4.0311 
S  SKP  8 
ID	FLIE1CNI0003 
KNApSAcK_ID	C00010057 
NAME	Mirificoumestan glycol 
CAS_RN	114865-43-9 
FORMULA	C21H20O8 
EXACTMASS	400.11581761599996 
AVERAGEMASS	400.3787 
SMILES	COc(c(CC(O)C(C)(C)O)1)c(O)cc(o2)c1c(C(=O)3)c2c(c4)c(cc(O)c4)O3 
M  END