Mol:FL2FA9NI0020

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.5761   -0.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0552   -1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5344   -0.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5344   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0552   -0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5761   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0135   -1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5074   -0.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5074   -0.3212    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.0135   -0.0205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0278   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0135   -1.7473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5621   -0.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0965   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0965    0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5621    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0278    0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0552   -1.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0552    0.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5761    0.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5761    1.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0965    1.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0558    1.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9334    0.2975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4335    1.1635    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 
  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  6  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 
  2 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 21 23  1  0  0  0  0 
  6 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26   -1.9334    0.2975 
S  SKP  8 
ID	FL2FA9NI0020 
KNApSAcK_ID	C00008528 
NAME	Tephroleocarpin B 
CAS_RN	138590-94-0 
FORMULA	C21H20O4 
EXACTMASS	336.136159128 
AVERAGEMASS	336.38109999999995 
SMILES	COc(c3)c(C=CC(C)=C)c(c(c(O)3)2)O[C@@H](CC(=O)2)c(c1)cccc1 
M  END