Mol:FLIC1LNI0003

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FLIC1LNI0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
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    0.2044    1.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4068   -0.8547    0.0000 C   0  0  0  0  0  0  0  0  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 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  26  27 
M  SBL   2  1  28 
M  SMT   2  OCH3 
M  SVB   2 28   -0.3076   -0.4422 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26     1.834   -0.7179 
S  SKP  8 
ID	FLIC1LNI0003 
KNApSAcK_ID	C00009734 
NAME	Unanisoflavan 
CAS_RN	61186-60-5 
FORMULA	C22H26O5 
EXACTMASS	370.178023942 
AVERAGEMASS	370.43884 
SMILES	COc(c(O)3)c(cc(C(C=C)(C)C)c3OC)C(C1)Cc(c2)c(cc(c2)O)O1 
M  END
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