Mol:FL3FABCS0006

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  38  39 
M  SBL   1  1  42 
M  SMT   1 OCH3 
M  SBV   1 42   -4.2067    9.4911 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  40  41 
M  SBL   2  1  44 
M  SMT   2 CH2OH 
M  SBV   2 44   -4.5838    9.0278 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  42  43 
M  SBL   3  1  46 
M  SMT   3 ^CH2OH 
M  SBV   3 46   -5.2898    9.3874 
S  SKP  8 
ID	FL3FABCS0006 
KNApSAcK_ID	C00006286 
NAME	3,6-Di-C-glucopyranosylacacetin 
CAS_RN	98891-91-9 
FORMULA	C28H32O15 
EXACTMASS	608.174120354 
AVERAGEMASS	608.54468 
SMILES	C(c(c(O)2)c(c(C3=O)c(OC(c(c5)ccc(OC)c5)=C(C(C(O)4)OC(C(O)C4O)CO)3)c2)O)(O1)C(O)C(C(C1CO)O)O 
M  END