Mol:FLIAAENI0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
   -1.9052    0.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9052   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3489   -0.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7926   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7926    0.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3489    0.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2363   -0.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3200   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3200    0.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2363    0.3319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8761   -0.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8761   -1.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4709   -1.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0657   -1.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0657   -0.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4709   -0.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2363   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4613    0.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3489   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3489    0.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9050    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9050    1.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4611    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3489    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0172    1.9372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6599   -0.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9317   -2.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7978   -2.6395    0.0000 C   0  0  0  0  0  0  0  0  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  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 
  1  2  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  6 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 
 23 25  1  0  0  0  0 
 15 26  1  0  0  0  0 
 14 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  25 
M  SBL   2  1  25 
M  SMT   2  CH2OH 
M  SVB   2 25   -2.4611    2.2583 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  29 
M  SMT   1  OCH3 
M  SVB   1 29    2.3027   -1.8458 
S  SKP  8 
ID	FLIAAENI0003 
KNApSAcK_ID	C00009904 
NAME	Gancaonin D 
CAS_RN	124596-88-9 
FORMULA	C21H20O7 
EXACTMASS	384.120902994 
AVERAGEMASS	384.37929999999994 
SMILES	c(c3)(O)c(C1=O)c(c(CC=C(CO)C)c3O)OC=C(c(c2)cc(O)c(OC)c2)1 
M  END