Mol:FLIAAADS0001

Latest revision as of 09:00, 14 March 2009

 
 
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  41  42 
M  SBL   2  1  45 
M  SMT   2  CH2OH 
M  SVB   2 45   -1.9315    1.3334 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  39  40 
M  SBL   1  1  43 
M  SMT   1  CH2OH 
M  SVB   1 43    2.9183   -1.2878 
S  SKP  8 
ID	FLIAAADS0001 
KNApSAcK_ID	C00006350 
NAME	8-C-Glucopyranosylgenistein 4'-O-glucoside 
CAS_RN	147879-67-2 
FORMULA	C27H30O15 
EXACTMASS	594.15847029 
AVERAGEMASS	594.5181 
SMILES	C(O1)([C@@H]([C@H](O)[C@@H]([C@@H]1c(c(O)5)c(c2c(c5)O)OC=C(c(c3)ccc(O[C@H](O4)C(O)C(O)[C@@H](O)[C@H]4CO)c3)C2=O)O)O)CO 
M  END