Mol:FL2F29NP0001

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FL2F29NP0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
   -1.4013    0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4013   -0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8450   -0.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2887   -0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2887    0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2676   -0.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8239   -0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8239    0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2676    0.3366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3800    0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9469    0.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5139    0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5139    0.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9469    1.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3800    0.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2676   -1.4919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8450    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3897    1.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9582    0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9574    0.3365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2629    1.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5139    0.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1158   -0.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4013   -0.9480    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 
  9 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 
  7 17  2  0  0  0  0 
  6 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 20  1  0  0  0  0 
 20 22  1  0  0  0  0 
 20 23  1  0  0  0  0 
  2 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  SBV   1 27   -6.0923    4.2937 
S  SKP  8 
ID	FL2F29NP0001 
KNApSAcK_ID	C00008134 
NAME	Ovalichromene 
CAS_RN	61670-30-2 
FORMULA	C21H20O4 
EXACTMASS	336.136159128 
AVERAGEMASS	336.38109999999995 
SMILES	c(c23)(C=1)c(c(OC)cc2C(=O)CC(c(c4)cccc4)O3)OC(C1)(C)C 
M  END
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