Mol:FL5FFCGA0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  0  0  0  0  0  0999 V2000 
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  6  1  2  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 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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  1 18  1  0  0  0  0 
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 21 22  1  1  0  0  0 
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 24 25  1  0  0  0  0 
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 20 26  1  0  0  0  0 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  35  36 
M  SBL   3  1  38 
M  SMT   3  CH2OH 
M  SVB   3 38    3.0947   -1.9612 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SVB   2 36    1.0931    1.9612 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34   -1.7042    0.9762 
S  SKP  8 
ID	FL5FFCGA0006 
KNApSAcK_ID	C00005714 
NAME	Limocitrin 3-galactoside 
CAS_RN	103839-19-6 
FORMULA	C23H24O13 
EXACTMASS	508.121690854 
AVERAGEMASS	508.42886 
SMILES	O(c(c(O)4)cc(cc4)C(=C(O[C@H](O3)C(O)C([C@H]([C@@H](CO)3)O)O)2)Oc(c1C2=O)c(OC)c(cc(O)1)O)C 
M  END