Mol:FL1C1ANP0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
   -1.5127   -0.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8466   -0.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8466    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5127    1.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1788    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1788   -0.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8986    0.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8986   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5352   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1719   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1719    0.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5352    1.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1232   -0.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5680   -0.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2063   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1232   -1.1525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8086   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4453   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4453    0.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8086    1.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7593    1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9716    0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7581    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5127   -1.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9114   -0.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5710   -0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3029   -0.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9716   -0.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5018   -1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12  7  1  0  0  0  0 
  2 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 13 16  2  0  0  0  0 
 15  8  1  0  0  0  0 
 10 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 11  1  0  0  0  0 
 19 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
  5 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
  6 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
S  SKP  8 
ID	FL1C1ANP0012 
KNApSAcK_ID	C00011144 
NAME	Paratocarpin C 
CAS_RN	161099-58-7 
FORMULA	C25H26O4 
EXACTMASS	390.18310931999997 
AVERAGEMASS	390.47153999999995 
SMILES	CC(C)=CCc(c1O)c(O)ccc(C(=O)C=Cc(c2)ccc(O3)c2C=CC3(C)C)1 
M  END