Mol:FLIJ1ANS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 22  0  0  0  0  0  0  0  0999 V2000 
   -2.2825    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2825    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262   -0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136   -0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0573    0.1827    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.6136    1.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0573    0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136   -0.6599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6398    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1398    2.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5543   -1.3251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4203   -1.8252    0.0000 C   0  0  0  0  0  0  0  0  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 
  9  5  1  0  0  0  0 
  8 10  1  0  0  0  0 
 10 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 10  2  0  0  0  0 
  1  2  1  0  0  0  0 
  8 16  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  21 
M  SMT   2  OCH3 
M  SVB   2 21    1.9253   -1.0314 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  19 
M  SMT   1  OCH3 
M  SVB   1 19   -2.6398    1.4439 
S  SKP  8 
ID	FLIJ1ANS0003 
KNApSAcK_ID	C00009796 
NAME	4-O-Methylangolensin 
CAS_RN	75946-85-9 
FORMULA	C17H18O4 
EXACTMASS	286.120509064 
AVERAGEMASS	286.32241999999997 
SMILES	COc(c2)ccc(c2)C(C)C(=O)c(c1)c(O)cc(OC)c1 
M  END