Mol:FL5FEANS0016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  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  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26   -1.7639   -1.0073 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24    -2.241    0.7355 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22   -2.5983   -0.4342 
S  SKP  8 
ID	FL5FEANS0016 
KNApSAcK_ID	C00004605 
NAME	Candidol 
CAS_RN	35286-55-6 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(c1OC)c(O2)c(C(C(=C2c(c3)ccc(O)c3)O)=O)c(c1OC)OC 
M  END