Mol:FL4DA9NP0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -1.1051   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5843   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0634   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0634   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5843    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1051   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4575   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9784   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9784   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4575    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4988    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4575   -1.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0331   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5675    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5675    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0331    0.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4988    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6255    0.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6255   -1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1459   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4988   -1.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5843   -1.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1459   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5162    0.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5675   -0.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5843    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1046    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1046    1.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6250    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5843    1.8032    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 
  3  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  4  1  0  0  0  0 
  9 11  1  6  0  0  0 
  7 12  2  0  0  0  0 
 11 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 11  1  0  0  0  0 
  6 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
  8 21  1  1  0  0  0 
  2 22  1  0  0  0  0 
 18 23  1  0  0  0  0 
 23 20  1  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
  5 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
S  SKP  8 
ID	FL4DA9NP0001 
KNApSAcK_ID	C00008609 
NAME	Mundulinol 
CAS_RN	71385-95-0 
FORMULA	C25H26O5 
EXACTMASS	406.178023942 
AVERAGEMASS	406.47094 
SMILES	C(c(c4)cccc4)(O3)C(C(c(c23)c(O)c(C=1)c(c(CC=C(C)C)2)OC(C1)(C)C)=O)O 
M  END