Mol:FL5FBCNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
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    0.2622   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.1107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.8183    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.8183    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.5191    1.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  1  2  1  0  0  0  0 
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  3  4  1  0  0  0  0 
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  1 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
  3 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1 OCH3 
M  SBV   1 24   -7.0153    3.1558 
S  SKP  8 
ID	FL5FBCNS0001 
KNApSAcK_ID	C00004633 
NAME	Azaleatin 
CAS_RN	529-51-1 
FORMULA	C16H12O7 
EXACTMASS	316.058302738 
AVERAGEMASS	316.26228000000003 
SMILES	COc(c3)c(C(=O)1)c(cc(O)3)OC(c(c2)cc(O)c(O)c2)=C(O)1 
M  END