Mol:FL5FADGL0010

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     0.886   -2.5753 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  43  44 
M  SBL   1  1  47 
M  SMT   1  OCH3 
M  SVB   1 47    1.3071    3.1586 
S  SKP  8 
ID	FL5FADGL0010 
KNApSAcK_ID	C00005547 
NAME	Isorhamnetin 3-neohesperidoside 
CAS_RN	55033-90-4 
FORMULA	C28H32O16 
EXACTMASS	624.1690349759999 
AVERAGEMASS	624.54408 
SMILES	[C@@H]([C@H](O)1)([C@@H](C(C)O[C@@H]1OC(C(O)2)[C@H](OC(=C4c(c5)cc(OC)c(O)c5)C(=O)c(c3O4)c(cc(c3)O)O)O[C@H](CO)[C@H](O)2)O)O 
M  END