Mol:FL5FFCNS0023

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
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   -2.3202   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8763    0.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4859    0.7229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0494    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7710   -1.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6370   -1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3115    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7529    2.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2003   -1.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.5950    0.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5950    0.8044    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 
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 27 28  1  0  0  0  0 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  27  28 
M  SBL   5  1  29 
M  SMT   5  OCH3 
M  SVB   5 29    2.1618    1.1317 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  25  26 
M  SBL   4  1  27 
M  SMT   4  OCH3 
M  SVB   4 27   -2.2003   -1.2954 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25    1.3115    1.7079 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23    0.1038   -1.0199 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -1.4859    0.7229 
S  SKP  8 
ID	FL5FFCNS0023 
KNApSAcK_ID	C00004743 
NAME	Gossypetin 3,5,8,3',4'-pentamethyl ether 
CAS_RN	33554-63-1 
FORMULA	C20H20O8 
EXACTMASS	388.11581761599996 
AVERAGEMASS	388.368 
SMILES	COc(c12)cc(c(c(OC(c(c3)cc(c(c3)OC)OC)=C(C2=O)OC)1)OC)O 
M  END