Mol:FL1CCBNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 23  0  0  0  0  0  0  0  0999 V2000 
   -2.6887    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6887   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1324   -0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5761   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5761    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1324    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0198   -0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4635   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0926   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6487   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2097   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7707   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7707    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2097    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6487    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0198   -0.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1324   -1.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0200    0.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3315    0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0460    0.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0460    1.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5461    1.9782    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  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  3 17  1  0  0  0  0 
  5 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22    -3.046    1.1122 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20    2.3315    0.8227 
S  SKP  8 
ID	FL1CCBNS0001 
KNApSAcK_ID	C00006955 
NAME	Gymnogrammene 
CAS_RN	20621-49-2 
FORMULA	C17H16O5 
EXACTMASS	300.099773622 
AVERAGEMASS	300.30593999999996 
SMILES	COc(c2)ccc(c2)C=CC(=O)c(c(O)1)c(O)cc(OC)c1 
M  END