Mol:FL3FAAGS0040

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -0.2491    0.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2491   -0.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3072   -0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8635   -0.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8635    0.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3072    0.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4198   -0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9761   -0.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9761    0.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4198    0.4639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4198   -1.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5322    0.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0992    0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6662    0.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6662    1.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0992    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5322    1.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8052    0.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2330    1.4457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3072   -1.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3446    0.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9099   -0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2840    0.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5975    0.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1189    0.6736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7583    0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2330    0.2252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5876   -0.0482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9254   -0.3739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1482    1.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4717    1.1194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9254   -1.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5209   -1.4431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3251   -1.4458    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 
 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 
 24 18  1  0  0  0  0 
 29 32  1  0  0  0  0 
 32 33  2  0  0  0  0 
 32 34  1  0  0  0  0 
S  SKP  8 
ID	FL3FAAGS0040 
KNApSAcK_ID	C00004176 
NAME	Apigenin 7-(2''-acetylglucoside) 
CAS_RN	75357-75-4 
FORMULA	C23H22O11 
EXACTMASS	474.116211546 
AVERAGEMASS	474.41418000000004 
SMILES	c(c3)(c(c(cc(OC(O4)C(OC(C)=O)C(O)C(O)C4CO)3)O)1)OC(c(c2)ccc(c2)O)=CC1=O 
M  END