Mol:FLIA1CGS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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    1.1842    0.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.6074   -0.9140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7605   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7605   -0.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3119   -1.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8632   -0.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.2749    0.7766    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
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    3.7292   -1.3849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
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  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  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 
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  6 12  2  0  0  0  0 
  7 13  1  0  0  0  0 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  28  29 
M  SBL   3  1  31 
M  SMT   3  CH2OH 
M  SVB   3 31   -3.5445    1.5037 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2  OCH3 
M  SVB   2 35    3.0573   -1.0912 
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    3.4146    0.0701 
S  SKP  8 
ID	FLIA1CGS0004 
KNApSAcK_ID	C00010091 
NAME	Cladrin 7-O-glucoside 
CAS_RN	68862-12-4 
FORMULA	C23H24O10 
EXACTMASS	460.136946988 
AVERAGEMASS	460.43066 
SMILES	c(c4)c(cc(c4OC)OC)C(C(=O)1)=COc(c2)c(ccc2O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)1 
M  END