Mol:FL5FADGS0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 43 47  0  0  0  0  0  0  0  0999 V2000 
   -2.6645    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6645    0.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1082   -0.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5519    0.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5519    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1082    1.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9956   -0.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4393    0.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4393    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9956    1.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9956   -0.7656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2612    1.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8282    0.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3952    1.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3952    1.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8282    2.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2612    1.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1082   -0.9068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2612    2.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3290    1.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0047   -0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6611   -1.3537    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    1.1965   -1.6628    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.0266   -1.0684    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.1965   -0.4703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6611   -0.1611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.8309   -0.7556    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.4875   -0.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2854   -1.7294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0673   -2.1449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5552   -1.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4349   -1.9106    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.9703   -2.2197    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8004   -1.6252    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.9703   -1.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4349   -0.7180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.6047   -1.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.2612   -1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0592   -2.2863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0570   -2.7111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3290   -1.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1116    2.7018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5530    3.5991    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 
  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 
  3 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  4  3  1  0  0  0  0 
  1 20  1  0  0  0  0 
 21  8  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 21  1  0  0  0  0 
 33 32  1  1  0  0  0 
 33 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  1  0  0  0 
 37 32  1  1  0  0  0 
 37 38  1  0  0  0  0 
 32 39  1  0  0  0  0 
 33 40  1  0  0  0  0 
 34 41  1  0  0  0  0 
 36 28  1  0  0  0  0 
 16 42  1  0  0  0  0 
 42 43  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  42  43 
M  SBL   1  1  46 
M  SMT   1  OCH3 
M  SVB   1 46    1.1116    2.7018 
S  SKP  8 
ID	FL5FADGS0012 
KNApSAcK_ID	C00005550 
NAME	Isorhamnetin 3-rhamnosyl-(1->2)-rhamnoside 
CAS_RN	121064-69-5 
FORMULA	C28H32O15 
EXACTMASS	608.174120354 
AVERAGEMASS	608.54468 
SMILES	O[C@@H]([C@H]1O)C(O[C@H](OC(=C4c(c5)ccc(O)c(OC)5)C(=O)c(c3O4)c(cc(c3)O)O)[C@H]1O[C@H]([C@H]2O)OC(C)[C@H]([C@H]2O)O)C 
M  END