Mol:FL5FFCGS0016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
   -2.0846    0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0846   -0.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5283   -0.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9720   -0.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9720    0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5283    0.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4157   -0.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1406   -0.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1406    0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4157    0.9289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4157   -0.8566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6967    0.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2637    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8306    0.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8306    1.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2637    1.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6967    1.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6407    0.9288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5283   -0.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6967   -0.3557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6966    2.0835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5916   -1.5586    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.2198   -1.9213    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.0205   -1.2238    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.2198   -0.5220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5916   -0.1593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.7909   -0.8568    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.5612   -0.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7530   -2.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0682   -2.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6407   -1.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5471    2.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9884    3.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2503    1.5019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8138    2.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  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 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 22  1  1  0  0  0 
 27 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 26 20  1  0  0  0  0 
 16 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
  6 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  34  35 
M  SBL   2  1  37 
M  SMT   2  OCH3 
M  SVB   2 37   -1.2503    1.5019 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SVB   1 35    1.5471     2.487 
S  SKP  8 
ID	FL5FFCGS0016 
KNApSAcK_ID	C00005716 
NAME	Limocitrin 3-rhamnoside 
CAS_RN	90456-56-7 
FORMULA	C23H24O12 
EXACTMASS	492.126776232 
AVERAGEMASS	492.42946 
SMILES	O[C@H]([C@H]1OC(C(=O)4)=C(Oc(c34)c(OC)c(cc(O)3)O)c(c2)cc(OC)c(O)c2)[C@@H]([C@H](O)C(C)O1)O 
M  END