Mol:FLIAADNP0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 36  0  0  0  0  0  0  0  0999 V2000 
   -1.6633    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6633   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1070   -0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5507   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5507    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1070    0.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0056   -0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5619   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5619    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0056    0.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1180   -0.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1180   -1.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7128   -1.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3075   -1.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3075   -0.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7128   -0.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0056   -1.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1070   -1.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9017   -1.4957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2194   -0.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2194    0.8186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1070    1.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6633    1.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2194    1.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2196   -1.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6633   -1.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5770    2.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9017    1.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0927   -1.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3122   -2.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2954   -1.6676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0099   -2.0801    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 
  8 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 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 21  1  0  0  0  0 
 20 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 18  1  0  0  0  0 
 24 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 26 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
 13 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  35 
M  SMT   1 OCH3 
M  SBV   1 35   -5.8097    3.7910 
S  SKP  8 
ID	FLIAADNP0001 
KNApSAcK_ID	C00009527 
NAME	1'',2''-Dihydro-O-methylcyclopomiferin 
CAS_RN	78876-33-2 
FORMULA	C26H28O6 
EXACTMASS	436.188588628 
AVERAGEMASS	436.49692 
SMILES	C(C)(C)(O1)CCc(c34)c(c(C2)c(c3C(=O)C(c(c5)cc(c(O)c5)OC)=CO4)OC(C)(C)C2)1 
M  END