Mol:FL1DHYNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.4959    0.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4959   -0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9419   -0.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3879   -0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3879    0.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9419    0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8342   -0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2817   -0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2696   -0.4694    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.8198   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3582   -0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8965   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8965    0.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3582    0.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8198    0.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8342   -1.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4878   -0.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8532    0.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4878    0.6620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8532    1.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3532    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1692   -0.6285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5453   -1.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3796   -0.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6651   -1.0426    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 
  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 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
 12 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 13  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  9 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26   -2.3796   -0.6301 
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  SVB   2 24   -0.1692   -0.6285 
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  SVB   1 22   -2.8532    1.1081 
S  SKP  8 
ID	FL1DHYNS0003 
KNApSAcK_ID	C00007958 
NAME	Dihydromilletenone methyl ether 
CAS_RN	96400-40-7 
FORMULA	C19H20O6 
EXACTMASS	344.125988372 
AVERAGEMASS	344.3585 
SMILES	c(c1C(=O)CC(c(c3)cc(c2c3)OCO2)OC)(OC)cc(OC)cc1 
M  END