Mol:FLIC1LNP0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -0.7111    0.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7111   -0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1548   -0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4015   -0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4015    0.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1548    0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9578   -0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5141   -0.3335    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.5141    0.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9578    0.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0702   -0.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0702   -1.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6650   -1.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2598   -1.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2598   -0.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6650   -0.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1548    1.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2674    0.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4760   -1.6844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7111    1.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2674    1.2724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -1.8570    0.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2674    1.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4465    1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0359    0.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6242    1.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2112    0.9327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6242    1.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1258   -1.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9919   -2.3413    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  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 
  1  2  1  0  0  0  0 
  6 17  1  0  0  0  0 
 18  1  1  0  0  0  0 
 12 19  1  0  0  0  0 
 17 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 18  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 14 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32    3.4968   -1.5476 
S  SKP  8 
ID	FLIC1LNP0010 
KNApSAcK_ID	C00009736 
NAME	Heminitidulan 
CAS_RN	66446-90-0 
FORMULA	C26H30O4 
EXACTMASS	406.21440944799997 
AVERAGEMASS	406.51399999999995 
SMILES	C(C)(C)=CCCC(C)(O1)C=Cc(c32)c1ccc2CC(c(c(O)4)ccc(OC)c4)CO3 
M  END