Mol:FLIAEAGS0003

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  43  44 
M  SBL   2  1  47 
M  SMT   2  CH2OH 
M  SVB   2 47   -4.0205    1.7857 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  41  42 
M  SBL   1  1  45 
M  SMT   1  OCH3 
M  SVB   1 45   -0.0777   -0.3821 
S  SKP  8 
ID	FLIAEAGS0003 
KNApSAcK_ID	C00010124 
NAME	Tectorigenin 7-O-gentiobioside 
CAS_RN	67604-94-8 
FORMULA	C28H32O16 
EXACTMASS	624.1690349759999 
AVERAGEMASS	624.54408 
SMILES	[C@@H](OCC([C@@H]2O)O[C@@H](Oc(c5)c(c(O)c(c53)C(C(c(c4)ccc(O)c4)=CO3)=O)OC)[C@@H](O)[C@@H](O)2)([C@@H](O)1)OC(CO)[C@H](O)[C@@H]1O 
M  END