Mol:FL2FA9NI0016

 
 
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  25  26 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27   -1.9336    0.2876 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25   -1.5511   -1.3597 
S  SKP  8 
ID	FL2FA9NI0016 
KNApSAcK_ID	C00008385 
NAME	Candidone 
CAS_RN	77727-18-5 
FORMULA	C22H24O4 
EXACTMASS	352.167459256 
AVERAGEMASS	352.42356 
SMILES	C(C)(C)=CCc(c3OC)c(c1c(c3)OC)OC(c(c2)cccc2)CC(=O)1 
M  END