Mol:FL1C1ANP0004

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FL1C1ANP0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
    1.4155    0.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4155   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9718   -0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5281   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5281    0.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9718    0.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1585   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7148   -0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3976   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9585    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3976   -0.9658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9585    0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5111    0.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0638    0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0638    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5111   -0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5111   -0.9485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6164    0.9658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1691    0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1691    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6164   -0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7216    0.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7989    0.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0844    0.9596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7989    0.5471    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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
 10 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 10  1  0  0  0  0 
 16 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 15  1  0  0  0  0 
 19 22  1  0  0  0  0 
 19 23  1  0  0  0  0 
  5 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  26 
M  SMT   1 OCH3 
M  SBV   1 26   -5.5316    3.1252 
S  SKP  8 
ID	FL1C1ANP0004 
KNApSAcK_ID	C00007063 
NAME	4-Methoxylonchocarpin 
CAS_RN	51589-67-4 
FORMULA	C21H20O4 
EXACTMASS	336.136159128 
AVERAGEMASS	336.38109999999995 
SMILES	c(c3O)(ccc(c32)OC(C=C2)(C)C)C(=O)C=Cc(c1)ccc(OC)c1 
M  END
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