Mol:FL5FEANI0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
   -2.9262   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8702   -1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3964   -0.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9785   -1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0345   -1.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5084   -2.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5047   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0869   -0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1429   -1.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6167   -1.9316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4611   -0.1528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7249   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.2611   -1.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.8545   -1.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.9115   -2.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.3752   -2.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7819   -2.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3404   -0.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4002   -2.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.3906   -1.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.9826   -1.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.5176   -1.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -9.1082   -1.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.4608   -0.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.9061   -0.3496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.7252    0.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.5047   -2.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.1805   -2.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2037   -1.3904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7872   -0.8071    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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
  8 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 15 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
  2 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  29  30 
M  SBL   3  1  31 
M  SMT   3  OCH3 
M  SVB   3 31   -3.4461   -0.3996 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  27  28 
M  SBL   2  1  29 
M  SMT   2  OCH3 
M  SVB   2 29    1.7504    1.4543 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -0.2962   -0.6761 
S  SKP  8 
ID	FL5FEANI0004 
KNApSAcK_ID	C00005018 
NAME	Viscosol 
CAS_RN	105037-80-7 
FORMULA	C23H24O7 
EXACTMASS	412.152203122 
AVERAGEMASS	412.43246 
SMILES	O(C)C(=C2c(c3)cc(c(OC)c3)CC=C(C)C)C(=O)c(c(O2)1)c(c(OC)c(c1)O)O 
M  END