Mol:FL1CCAGS0001

 
 
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  29  30 
M  SBL   2  1  31 
M  SMT   2  CH2OH 
M  SVB   2 31   -2.5331   -0.5797 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33   -1.9478    1.6297 
S  SKP  8 
ID	FL1CCAGS0001 
KNApSAcK_ID	C00007885 
NAME	Neosakuranin 
CAS_RN	31187-54-9 
FORMULA	C22H24O10 
EXACTMASS	448.136946988 
AVERAGEMASS	448.41996000000006 
SMILES	O[C@@H]([C@H]3O)[C@@H](OC(CO)[C@@H]3O)Oc(c1)c(C(=O)C=Cc(c2)ccc(O)c2)c(cc1OC)O 
M  END