Mol:FL3FEAGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -1.1186    0.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1186   -0.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4176   -0.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2835   -0.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2835    0.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4176    1.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9847   -0.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6856   -0.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6856    0.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9847    1.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9847   -1.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3864    1.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1009    0.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8156    1.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8156    1.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1009    2.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3864    1.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8194    1.1373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5299    2.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4190   -1.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8203   -1.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1791   -2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2558   -1.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3651   -1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0124   -1.1873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8201   -1.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4962   -1.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8469   -2.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3370   -2.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8183   -0.4809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5041   -1.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5299   -1.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9912   -0.1341    0.0000 O   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 
  1 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 20  3  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 20  1  0  0  0  0 
  2 30  1  0  0  0  0 
 31 32  2  0  0  0  0 
 31 33  1  0  0  0  0 
 26 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  31  32  33 
M  SBL   1  1  36 
M  SMT   1 ^COOH 
M  SBV   1  36    0.6840   -0.5910 
S  SKP  5 
ID	FL3FEAGS0001 
FORMULA	C21H18O12 
EXACTMASS	462.07982604 
AVERAGEMASS	462.36042 
SMILES	C(C(C(O)=O)1)(O)C(C(C(Oc(c42)c(O)c(O)cc2OC(=CC4=O)c(c3)ccc(O)c3)O1)O)O 
M  END