Mol:FLIFWXNF0002

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FLIFWXNF0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 32  0  0  0  0  0  0  0  0999 V2000 
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  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 
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  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 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  31 
M  SMT   1  OCH3 
M  SVB   1 31    -0.912    1.8157 
S  SKP  8 
ID	FLIFWXNF0002 
KNApSAcK_ID	C00009599 
NAME	Dehydropachyrrhizone;6a,13a-Didehydropachyrrhizone 
CAS_RN	28607-94-5 
FORMULA	C20H12O7 
EXACTMASS	364.058302738 
AVERAGEMASS	364.30508 
SMILES	O(C)c(c26)c(o1)c(cc2C(C(c34)=C(O6)COc3cc(O5)c(OC5)c4)=O)cc1 
M  END
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