Mol:FLIFALNP0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  35 
M  SMT   2  OCH3 
M  SVB   2 35    0.7806   -1.3116 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33    1.8364   -1.1145 
S  SKP  8 
ID	FLIFALNP0001 
KNApSAcK_ID	C00002580 
NAME	Toxicarol;alpha-Toxicarol;Toxicarin 
CAS_RN	82-09-7 
FORMULA	C23H22O7 
EXACTMASS	410.136553058 
AVERAGEMASS	410.41658000000007 
SMILES	[H][C@@]([C@]4([H])3)(c(c5)c(cc(c5OC)OC)OC4)C(=O)c(c1O3)c(O)cc(O2)c1C=CC2(C)C 
M  END