Mol:FL5FFANS0019

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FL5FFANS0019.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
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   -2.8697    1.3343    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 
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  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 
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  9 12  1  0  0  0  0 
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  1 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -2.3696    0.4683 
S  SKP  8 
ID	FL5FFANS0019 
KNApSAcK_ID	C00004924 
NAME	Pollenitin 8-acetate 
CAS_RN	69306-84-9 
FORMULA	C18H14O8 
EXACTMASS	358.068867424 
AVERAGEMASS	358.29896 
SMILES	c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)O)(c1)ccc(O)c1 
M  END
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