Mol:FL1C3CGS0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 35  0  0  0  0  0  0  0  0999 V2000 
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    2.4632    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
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 15 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  3 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
 19  2  1  0  0  0  0 
 12 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
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 32 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  32 
M  SMT   1 ^CH2OH 
M  SBV   1 32   -9.2507    5.4364 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  34 
M  SMT   2 OCH3 
M  SBV   2 34   -8.6654    5.3487 
S  SKP  8 
ID	FL1C3CGS0013 
KNApSAcK_ID	C00007904 
NAME	Okanin 4-methyl ether 3'-glucoside 
CAS_RN	119227-96-2 
FORMULA	C22H24O11 
EXACTMASS	464.13186161 
AVERAGEMASS	464.41936000000004 
SMILES	c(c1)(c(ccc1C=CC(=O)c(c3)c(O)c(c(O)c3)OC(O2)C(O)C(C(C(CO)2)O)O)OC)O 
M  END