Mol:FL3FGANS0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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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   -2.5983      0.77 
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    1.4543 
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   -2.9555   -0.3996 
S  SKP  8 
ID	FL3FGANS0007 
KNApSAcK_ID	C00003880 
NAME	Pedunculin 
CAS_RN	2798-22-3 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(C(O2)=CC(c(c3O)c2c(c(c3OC)OC)O)=O)(c1)ccc(OC)c1 
M  END