Mol:FL3FAAGS0039

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 40  0  0  0  0  0  0  0  0999 V2000 
    0.7197   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7197   -0.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2760   -1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8323   -0.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8323   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2760    0.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3886   -1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9449   -0.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9449   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3886    0.0737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3886   -1.7119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5010    0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0680   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6349    0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6349    0.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0680    1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5010    0.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1636    0.0736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2018    1.0555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2760   -1.7122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3759    0.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9412   -0.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3153   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6288   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1502    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7895    0.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2642   -0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6188   -0.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9566   -0.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1795    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8535    0.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3048    1.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0430    0.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6655    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6655    1.7122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2018    0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3048    1.6706    0.0000 O   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 
 15 19  1  0  0  0  0 
 20  3  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
 30 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 
 34 35  1  0  0  0  0 
 34 36  2  0  0  0  0 
 32 37  2  0  0  0  0 
 24 18  1  0  0  0  0 
S  SKP  8 
ID	FL3FAAGS0039 
KNApSAcK_ID	C00004175 
NAME	Apigenin 7-(6''-malonylglucoside) 
CAS_RN	86546-87-4 
FORMULA	C24H22O13 
EXACTMASS	518.10604079 
AVERAGEMASS	518.42368 
SMILES	Oc(c3)c(C(=O)2)c(cc3OC(C4O)OC(C(O)C4O)COC(=O)CC(O)=O)OC(=C2)c(c1)ccc(c1)O 
M  END