Mol:FL3F2CNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.2410   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2410   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1284   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1284   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847    0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721    0.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7971    0.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9555   -0.7975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2410   -1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2410    1.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9555    0.6439    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 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 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 15 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1 ^OCH3 
M  SBV   1 22   -5.4058    2.5261 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2 OCH3 
M  SBV   2 24   -4.1245    2.7619 
S  SKP  8 
ID	FL3F2CNS0001 
KNApSAcK_ID	C00003872 
NAME	Abrectorin 
CAS_RN	76575-03-6 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c3)c(O)cc(c3)C(=C1)Oc(c2)c(cc(OC)c(O)2)C(=O)1 
M  END