Mol:FLIA2AGS0006

Latest revision as of 09:00, 14 March 2009

 
 
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  38  39 
M  SBL   3  1  41 
M  SMT   3  OCH3 
M  SVB   3 41    3.4832   -1.8776 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  36  37 
M  SBL   2  1  39 
M  SMT   2  OCH3 
M  SVB   2 39   -1.3701   -0.5861 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  33  35  34 
M  SBL   1  1  36 
M  SMT   1  COOH 
M  SVB   1 36   -1.5409    1.7834 
S  SKP  8 
ID	FLIA2AGS0006 
KNApSAcK_ID	C00010169 
NAME	Afrormosin 7-O-(6''-malonylglucoside) 
CAS_RN	131670-16-1 
FORMULA	C26H26O13 
EXACTMASS	546.137340918 
AVERAGEMASS	546.4768399999999 
SMILES	[C@H](O)([C@H](Oc(c(OC)4)cc(O2)c(c4)C(=O)C(c(c3)ccc(OC)c3)=C2)1)[C@H]([C@@H](O)C(COC(=O)CC(O)=O)O1)O 
M  END