Mol:FL5FFCNS0026

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -1.9631   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9631   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4068   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8505   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8505   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4068    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2942   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2621   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2621   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2942    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2942   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8182    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3852   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9522    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9522    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3852    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8182    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8182   -1.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4068   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3852    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5190    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4068    0.7873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9629    1.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9629    1.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3810    1.3797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3203    0.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8202    1.3089    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  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 
  8 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  2  0  0  0  0 
  1 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28   -2.3203    0.4428 
S  SKP  8 
ID	FL5FFCNS0026 
KNApSAcK_ID	C00004938 
NAME	Gossypetin 7-methyl ether 8-acetate 
CAS_RN	62071-01-6 
FORMULA	C18H14O9 
EXACTMASS	374.06378204600003 
AVERAGEMASS	374.29836 
SMILES	c(c21)(O)cc(c(c(OC(c(c3)cc(O)c(O)c3)=C(C2=O)O)1)OC(C)=O)OC 
M  END