Mol:FL7AAIGO0004

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  CHG  1  10   1 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  40  41 
M  SBL   1  1  45 
M  SMT   1  OCH3 
M  SBV   1  45    0.0000   -0.7014 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  42  43 
M  SBL   2  1  47 
M  SMT   2 ^ CH2OH 
M  SBV   2  47    0.5169   -0.5509 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  44  45 
M  SBL   3  1  49 
M  SMT   3  OCH3 
M  SBV   3  49   -0.7563    0.4366 
S  SKP  5 
ID	FL7AAIGS0004 
FORMULA	C29H35O16 
EXACTMASS	639.192510072 
AVERAGEMASS	639.5785999999999 
SMILES	Oc(c4)cc(c3c4OC(C(O)5)OC(C(C(O)5)O)CO)[o+1]c(c(c3)OC(O2)C(O)C(O)C(C(C)2)O)c(c1)cc(OC)c(c(OC)1)O 
M  END