Mol:FLII1ANS0001

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FLII1ANS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 20 22  0  0  0  0  0  0  0  0999 V2000 
   -0.6104   -0.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.0570   -0.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1200   -0.7703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1830   -0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1200    0.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6973   -0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9510   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4583   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7120   -0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4583    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9510    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2180   -0.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2180   -0.4563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1954   -0.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4527    0.7173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2746    0.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9  2  1  0  0  0  0 
  8 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
 13 16  1  0  0  0  0 
  5 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  19  20 
M  SBL   2  1  21 
M  SMT   2  OCH3 
M  SVB   2 21    0.7661    0.8688 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  17  18 
M  SBL   1  1  19 
M  SMT   1  OCH3 
M  SVB   1 19    -2.218   -0.4563 
S  SKP  8 
ID	FLII1ANS0001 
KNApSAcK_ID	C00002414 
NAME	Vignafuran;2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran 
CAS_RN	57800-41-6 
FORMULA	C16H14O4 
EXACTMASS	270.089208936 
AVERAGEMASS	270.27996 
SMILES	COc(c3)cc(o1)c(c3)cc1c(c2)c(OC)cc(O)c2 
M  END
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