Mol:FL5FADGA0020

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 40  0  0  0  0  0  0  0  0999 V2000 
   -0.4745   -4.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1582   -4.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3779   -4.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0350   -3.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6677   -3.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8874   -4.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1847   -2.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2282   -2.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8609   -2.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0806   -3.1543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6778   -2.8441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2736   -2.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0497   -1.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4705   -0.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1152   -1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3392   -1.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9183   -2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2011   -1.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6519   -0.3548    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.2642   -1.0262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.0097   -0.8131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7597   -1.0262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.1474   -0.3548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.4019   -0.5678    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0752   -0.5496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6707   -0.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9071    0.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7580   -0.2896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0101   -3.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5639   -5.3781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3886   -1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7612   -1.6716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4775   -1.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8778   -0.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7974   -2.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9558   -1.4918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9161   -1.2129    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 
 19 20  1  0  0  0  0 
 20 21  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 20 18  1  0  0  0  0 
 18  8  1  0  0  0  0 
 22 21  1  1  0  0  0 
 15 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
  1 30  1  0  0  0  0 
 22 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 33 35  2  0  0  0  0 
 16 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  36  37 
M  SBL   1  1  39 
M  SMT   1  OCH3 
M  SVB   1 39    0.3648    2.2257 
S  SKP  8 
ID	FL5FADGA0020 
KNApSAcK_ID	C00006003 
NAME	Isorhamnetin 3-(6''-acetylgalactoside) 
CAS_RN	67214-09-9 
FORMULA	C24H24O13 
EXACTMASS	520.121690854 
AVERAGEMASS	520.43956 
SMILES	O[C@@H]([C@H]4COC(C)=O)C(O)C(O)[C@@H](O4)OC(C1=O)=C(c(c3)cc(OC)c(c3)O)Oc(c2)c1c(O)cc2O 
M  END