Mol:FL1CDANI0001

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FL1CDANI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 28  0  0  0  0  0  0  0  0999 V2000 
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    2.0085   -0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.1211   -0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1211    0.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.1954   -0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.9182   -0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9182   -1.0983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6774    0.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.1720    0.8072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.3282    1.9816    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 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  26  27 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27   -1.8281    1.1156 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25     0.172    0.8072 
S  SKP  8 
ID	FL1CDANI0001 
KNApSAcK_ID	C00007100 
NAME	4'-O-Methylxanthohumol 
CAS_RN	123316-63-2 
FORMULA	C22H24O5 
EXACTMASS	368.162373878 
AVERAGEMASS	368.42296000000005 
SMILES	c(c(C(=O)C=Cc(c2)ccc(O)c2)1)(O)c(c(cc(OC)1)OC)CC=C(C)C 
M  END
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