Mol:FLIAEACS0001

 
 
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  31  32 
M  SBL   3  1  34 
M  SMT   3  CH2OH 
M  SVB   3 34   -0.5702     1.418 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SVB   2 36     2.028   -2.4163 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32   -2.7425   -1.1663 
S  SKP  8 
ID	FLIAEACS0001 
KNApSAcK_ID	C00006155 
NAME	Volubilinin 
CAS_RN	58930-58-8 
FORMULA	C23H24O11 
EXACTMASS	476.13186161 
AVERAGEMASS	476.43006 
SMILES	O[C@@H]([C@H]4O)[C@@H]([C@@H](OC4CO)c(c(O)1)c(O2)c(C(=O)C(c(c3)ccc(c3)OC)=C2)c(O)c1OC)O 
M  END