Mol:FL1CBANI0001

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FL1CBANI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 27  0  0  0  0  0  0  0  0999 V2000 
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    0.8864    0.5446    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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
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 12 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  26 
M  SMT   1 OCH3 
M  SBV   1 26   -5.0399    4.3725 
S  SKP  8 
ID	FL1CBANI0001 
KNApSAcK_ID	C00007099 
NAME	Xanthohumol 
CAS_RN	569-83-5 
FORMULA	C21H22O5 
EXACTMASS	354.146723814 
AVERAGEMASS	354.39638 
SMILES	COc(c2)c(c(c(CC=C(C)C)c(O)2)O)C(=O)C=Cc(c1)ccc(O)c1 
M  END
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