Mol:FL3FAANS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -0.9830    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9830   -0.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4267   -0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1296   -0.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1296    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4267    0.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6859   -0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2422   -0.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2422    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6859    0.4020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6859   -1.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7983    0.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3653    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9323    0.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9323    1.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3653    1.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7983    1.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5391    0.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4991    1.3838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4267   -1.3839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3108   -0.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3108   -0.6019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9925    0.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9925    0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4991    0.0057    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 18  1  0  0  0  0 
 21 22  2  0  0  0  0 
 21 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
S  SKP  8 
ID	FL3FAANS0002 
KNApSAcK_ID	C00004180 
NAME	Apigenin 7-lactate 
CAS_RN	126462-89-3 
FORMULA	C18H14O7 
EXACTMASS	342.073952802 
AVERAGEMASS	342.29956000000004 
SMILES	c(C(=C3)Oc(c2C(=O)3)cc(OC(=O)C(C)O)cc2O)(c1)ccc(O)c1 
M  END