Mol:FLIC1LGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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    0.2780    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8547   -0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4314    0.0722    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.4314    0.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8547    1.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.0078   -0.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0078   -0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5591   -1.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1105   -0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1105   -0.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -4.3763    0.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  32  33 
M  SBL   3  1  35 
M  SMT   3  CH2OH 
M  SVB   3 35   -3.2745    1.5159 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  33 
M  SMT   2  OCH3 
M  SVB   2 33    3.3046   -1.1034 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  31 
M  SMT   1  OCH3 
M  SVB   1 31    3.6618    0.0578 
S  SKP  8 
ID	FLIC1LGS0001 
KNApSAcK_ID	C00010190 
NAME	Isomucronulator 7-O-glucoside 
CAS_RN	136087-29-1 
FORMULA	C23H28O10 
EXACTMASS	464.168247116 
AVERAGEMASS	464.46242000000007 
SMILES	O(c(c(O)1)c(OC)ccc1C(C4)Cc(c(O4)2)ccc(O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)c2)C 
M  END