Mol:FLIAABGS0003

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  40  41 
M  SBL   2  1  44 
M  SMT   2  CH2OH 
M  SVB   2 44   -4.2096    1.9696 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  42  43 
M  SBL   1  1  46 
M  SMT   1  OCH3 
M  SVB   1 46     4.597   -1.5571 
S  SKP  8 
ID	FLIAABGS0003 
KNApSAcK_ID	C00010114 
NAME	Biochanin A 7-O-gentiobioside 
CAS_RN	63770-90-1 
FORMULA	C28H32O15 
EXACTMASS	608.174120354 
AVERAGEMASS	608.54468 
SMILES	O(C)c(c1)ccc(C(=C2)C(c(c3O)c(cc(O[C@H](O4)[C@@H](O)[C@@H](O)[C@@H](O)C4CO[C@@H]([C@@H](O)5)OC([C@H](O)[C@@H]5O)CO)c3)O2)=O)c1 
M  END