Mol:FL7AAIGL0005

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 45 49  0  0  0  0  0  0  0  0999 V2000 
   -3.2363    0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2362   -0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5215   -1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8068   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8068    0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5215    0.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0920   -1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3773   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3773    0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0919    0.6041    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    0.3372    0.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0657    0.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7943    0.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7943    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0657    1.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3373    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9507    0.6038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5153    1.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5215   -1.8717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3545   -1.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6665   -2.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4881   -3.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0792   -2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7723   -2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9507   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3596   -2.5961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0079   -2.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4463   -0.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1017   -1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7645   -1.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4312   -1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7759   -0.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1132   -0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7113   -0.7407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5747   -0.2773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4522   -0.7156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0852   -1.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6924   -1.5980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7900   -3.1404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8400   -3.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8210   -3.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0657    2.5135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6329    3.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5282    0.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8131    0.1801    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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
  9 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 
  1 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20  8  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  1  1  0  0  0 
 30 31  1  1  0  0  0 
 32 31  1  1  0  0  0 
 32 33  1  0  0  0  0 
 33 28  1  0  0  0  0 
 28 34  1  0  0  0  0 
 33 35  1  0  0  0  0 
 32 36  1  0  0  0  0 
 31 37  1  0  0  0  0 
 25 38  1  0  0  0  0 
 37 38  1  0  0  0  0 
 22 39  1  0  0  0  0 
 23 40  1  0  0  0  0 
 24 41  1  0  0  0  0 
 29 20  1  0  0  0  0 
 42 43  1  0  0  0  0 
 15 42  1  0  0  0  0 
 44 45  1  0  0  0  0 
 13 44  1  0  0  0  0 
M  CHG  1  10   1 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  42  43 
M  SBL   1  1  47 
M  SMT   1  OCH3 
M  SBV   1  47    0.0000   -0.6478 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  44  45 
M  SBL   2  1  49 
M  SMT   2  OCH3 
M  SBV   2  49   -0.7339    0.4237 
S  SKP  5 
ID	FL7AAIGL0005 
FORMULA	C29H35O16 
EXACTMASS	639.192510072 
AVERAGEMASS	639.5785999999999 
SMILES	C(O)(C1O)C(C(Oc(c4)c(c(c5)cc(OC)c(c(OC)5)O)[o+1]c(c43)cc(O)cc3O)OC1COC(O2)C(C(C(O)C(C)2)O)O)O 
M  END