Mol:FL1C1CNF0001

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FL1C1CNF0001.png

 
 
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 24 27  0  0  0  0  0  0  0  0999 V2000 
   -2.2339    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2339   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6776   -0.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1213   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1213    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6776    0.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5650   -0.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0087   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5474   -0.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1035   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6645   -0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2255   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2255    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6645    0.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1035    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5650   -0.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8448    0.8021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2224    0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8448   -0.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8416   -0.2389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2224    0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8416    0.8092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1140   -0.5204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3995   -0.9329    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 
  1 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19  2  1  0  0  0  0 
 12 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 13  1  0  0  0  0 
  3 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  26 
M  SMT   1 OCH3 
M  SBV   1 26   -6.2962    3.7225 
S  SKP  8 
ID	FL1C1CNF0001 
KNApSAcK_ID	C00007024 
NAME	Ovalitenin C 
CAS_RN	75680-32-9 
FORMULA	C19H14O5 
EXACTMASS	322.084123558 
AVERAGEMASS	322.31146 
SMILES	c(O4)(c1)c(OC4)ccc(C=CC(c(c3OC)ccc(c32)occ2)=O)1 
M  END
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