Mol:FLIFHXNM0001

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FLIFHXNM0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
   -2.0045    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0045    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207    0.0451    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.2207    0.6874    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.3356    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768    1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356   -0.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3780    0.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207   -0.5928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5606    0.0671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482   -0.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5606   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3617    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8616    2.1723    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  9 17  1  0  0  0  0 
  7 18  2  0  0  0  0 
 16 19  1  0  0  0  0 
 19 17  1  0  0  0  0 
  8 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
  3 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -2.3617    1.3062 
S  SKP  8 
ID	FLIFHXNM0001 
KNApSAcK_ID	C00009984 
NAME	Boeravinone C;4,11,12a-Trihydroxy-9-methoxy-10-methylrotenone 
CAS_RN	117176-19-9 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(c4C)(OC)cc(O3)c(c4O)C(C(C32)(c(c(OC2)1)cccc1O)O)=O 
M  END
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