Mol:FL3F19NF0001

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FL3F19NF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 25  0  0  0  0  0  0  0  0999 V2000 
   -1.6788   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6788   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1225   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5662   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5662   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1225    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0099   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5464   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5464   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0099    0.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0099   -1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1025    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6694   -0.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2364    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2364    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6694    1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1025    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2898   -0.0089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6673   -0.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2898   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9529    1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6673    1.2593    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  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20  2  1  0  0  0  0 
 16 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1 OCH3 
M  SBV   1 24   -6.9600    8.2887 
S  SKP  8 
ID	FL3F19NF0001 
KNApSAcK_ID	C00004049 
NAME	Pongone;7-(3-Methoxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one 
CAS_RN	114687-96-6 
FORMULA	C18H12O4 
EXACTMASS	292.073558872 
AVERAGEMASS	292.28548 
SMILES	C(c13)(=O)C=C(c(c4)cc(OC)cc4)Oc1cc(c2c3)occ2 
M  END
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