Mol:6-Deoxy-Erythronolide B

 
 
Copyright: ARM project http://www.metabolomics.jp/ 
 27 27  0  0  0  0  0  0  0  0999 V2000 
   -0.7145    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3200   -2.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  3  4  1  0 
  4  5  1  0 
  5  1  1  0 
  2  6  1  0 
  6  7  1  0 
  7  8  1  0 
  9 10  1  0 
 10 11  1  0 
 11  3  1  0 
  8 12  1  0 
 12 13  1  0 
 13 14  1  0 
 14  9  1  0 
  5 15  2  0 
 12 16  2  0 
  1 17  1  1 
  2 18  1  1 
 13 19  1  1 
  6 20  1  6 
  7 21  1  6 
 11 22  1  6 
 10 23  1  6 
  9 24  1  6 
  4 25  1  6 
 14 26  1  6 
 21 27  1  0 
S  SKP  9 
AUTODRAW	FALSE 
ID	6-Deoxy-Erythronolide B 
KNApSAcK_ID	 
NAME	6-Deoxy-erythronolide B 
CAS_RN	15797-36-1 
FORMULA	C21H38O6 
EXACTMASS	386.266838948 
AVERAGEMASS	386.52281999999997 
SMILES	CCC(O1)C(C)C(O)C(C)C(=O)C(C)CC(C)C(O)C(C)C(O)C(C)C(=O)1 
M  END