Mol:FLIFHXNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -2.2825    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2825    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0573    0.3371    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0573    0.9795    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.6136    1.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136   -0.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1206    0.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4990    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0573   -0.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6883   -0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6883   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6398    1.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1399    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6762   -1.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3907   -1.5982    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  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 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  7 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19  9  1  0  0  0  0 
  8 20  1  0  0  0  0 
 14 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 
 13 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  28 
M  SMT   3  OCH3 
M  SVB   3 28    0.6762   -1.1857 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26   -2.6398    1.5982 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24    1.9253    -0.877 
S  SKP  8 
ID	FLIFHXNS0001 
KNApSAcK_ID	C00009580 
NAME	12a-Hydroxymunduserone 
CAS_RN	66280-24-8 
FORMULA	C19H18O7 
EXACTMASS	358.10525293 
AVERAGEMASS	358.34202000000005 
SMILES	c(c4OC)(OC)cc(c(c4)1)OCC(O3)C(C(c(c32)ccc(OC)c2)=O)1O 
M  END