Mol:FL1AUNGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
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  3  4  2  0  0  0  0 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  28  29 
M  SBL   2  1  29 
M  SMT   2  CH2OH 
M  SVB   2 29   -0.6049   -2.0058 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33    0.6069   -1.5197 
S  SKP  8 
ID	FL1AUNGS0001 
KNApSAcK_ID	C00008062 
NAME	Neoraufuracin 
CAS_RN	82358-46-1 
FORMULA	C22H26O9 
EXACTMASS	434.15768243 
AVERAGEMASS	434.43644 
SMILES	c(c4)c(ccc4O)C[C@@H](O3)[C@H](c(c32)ccc(O)c2)OC([C@@H](OC)1)C([C@@H]([C@@H](O1)CO)O)O 
M  END