Mol:FL2FAANP0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 34  0  0  0  0  0  0  0  0999 V2000 
   -2.5436    0.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5250   -0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7479   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0930   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0789    0.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8045    0.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3381   -1.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3357   -0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3265    0.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3574    0.5461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0409    0.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7343    0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4544    0.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4478    1.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7445    1.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0265    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3381   -1.8462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7479   -1.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1712    0.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8815    0.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8815    1.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1712    1.7937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5096    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5293    1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2490    0.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9359    0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9173   -0.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2119   -1.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3701    0.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5293   -0.2658    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 14  1  0  0  0  0 
 21 23  1  0  0  0  0 
 21 24  1  0  0  0  0 
  1 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28  2  1  0  0  0  0 
 26 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
S  SKP  8 
ID	FL2FAANP0013 
KNApSAcK_ID	C00014237 
NAME	Paratocarpin J;5-Hydroxy-bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone 
CAS_RN	170900-12-6 
FORMULA	C25H28O5 
EXACTMASS	408.193674006 
AVERAGEMASS	408.48682 
SMILES	c(C5)(c(OC(C5)(C)C)4)cc(cc4)C(C3)Oc(c2C(=O)3)cc(c(c2O)1)OC(CC1)(C)C 
M  END