Mol:FL1CA9NM0002

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FL1CA9NM0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 22  0  0  0  0  0  0  0  0999 V2000 
   -2.0511    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0511   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.3822   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1741   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7302   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2863   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8473   -0.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4083   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4083    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8473    0.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2863    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3822   -1.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4948    1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4948   -1.2845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3824    0.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4083    0.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9083    1.8059    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 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 
  7 16  2  0  0  0  0 
  6 17  1  0  0  0  0 
  3 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
  1 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  21 
M  SMT   1  OCH3 
M  SVB   1 21   -2.4083    0.9399 
S  SKP  8 
ID	FL1CA9NM0002 
KNApSAcK_ID	C00007041 
NAME	Triangularin 
CAS_RN	67777-33-7 
FORMULA	C17H16O4 
EXACTMASS	284.104859 
AVERAGEMASS	284.30654 
SMILES	COc(c1)c(C)c(O)c(C(=O)C=Cc(c2)cccc2)c(O)1 
M  END
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