Mol:FL2FALNP0016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  0  0  0  0  0  0999 V2000 
   -1.6378   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1170   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5961   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5961   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1170    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6378   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0752   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4457   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4457   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0752    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9661    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0752   -1.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5004   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0348    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0348    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5004    0.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9661    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1587    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1170   -1.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5691    0.9258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1170    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6373    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1582   -1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6786   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5691   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1035    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1035    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4616    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7170    0.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6373    1.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1577    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1170    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1978   -1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7170   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1978   -1.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4253    0.9296    0.0000 O   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 
  3  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  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
 11 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 11  1  0  0  0  0 
  6 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
  5 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 14 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 20  1  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 22 30  2  0  0  0  0 
 30 31  1  0  0  0  0 
 30 32  1  0  0  0  0 
 24 33  2  0  0  0  0 
 33 34  1  0  0  0  0 
 33 35  1  0  0  0  0 
 17 36  1  0  0  0  0 
S  SKP  8 
ID	FL2FALNP0016 
KNApSAcK_ID	C00008474 
NAME	Euchrenone a6 
CAS_RN	125140-21-8 
FORMULA	C30H34O6 
EXACTMASS	490.23553882 
AVERAGEMASS	490.58736000000005 
SMILES	Oc(c(CC=C(C)C)1)c(CC=C(C)C)c(O2)c(C(CC2c(c4)c(O)cc(c43)OC(C=C3)(C)C)=O)c1O 
M  END