Mol:FL5FFCNS0029

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Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
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    0.2621   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8203    1.3243    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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  6 20  1  0  0  0  0
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  1 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  28  29
M  SBL   3  1  30
M  SMT   3  OCH3
M  SVB   3 30   -2.3203    0.4583
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  26  27
M  SBL   2  1  28
M  SMT   2  OCH3
M  SVB   2 28     0.461    -1.009
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  26
M  SMT   1  OCH3
M  SVB   1 26    1.6686    1.7188
S  SKP  8
ID	FL5FFCNS0029
KNApSAcK_ID	C00004941
NAME	Gossypetin 3,7,3'-trimethyl ether 8-acetate
CAS_RN	83159-16-4
FORMULA	C20H18O9
EXACTMASS	402.095082174
AVERAGEMASS	402.35152
SMILES	COc(c3)c(c(c(c(O)3)1)OC(c(c2)cc(c(O)c2)OC)=C(C1=O)OC)OC(C)=O
M  END

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