Mol:FLIA3ANS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 23  0  0  0  0  0  0  0  0999 V2000 
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   -2.1831    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.0705    0.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    0.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142   -0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0421    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0421    0.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    0.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392    0.9739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -1.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930    0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142   -0.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    1.6161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6538   -1.4974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5199   -1.9974    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 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  1 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  7 18  2  0  0  0  0 
  6 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22    2.0247   -1.2036 
S  SKP  8 
ID	FLIA3ANS0001 
KNApSAcK_ID	C00009393 
NAME	Retusin(Dalbergia);7,8-Dihydroxy-4'-methoxyisoflavone 
CAS_RN	37816-19-6 
FORMULA	C16H12O5 
EXACTMASS	284.068473494 
AVERAGEMASS	284.26348 
SMILES	COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)c(O)c(O)c1 
M  END