Mol:FL3F1ANF0001

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FL3F1ANF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 25  0  0  0  0  0  0  0  0999 V2000 
   -2.0603    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0603   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5040   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9477   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9477    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5040    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3914   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1650   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1650    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3914    0.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3914   -1.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7210    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2880    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8550    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8550    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2880    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7210    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6712    0.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0487   -0.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6712   -0.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2641    1.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0487    0.9403    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 
 15 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   -7.2158    8.1395 
S  SKP  8 
ID	FL3F1ANF0001 
KNApSAcK_ID	C00004050 
NAME	Glabone 
CAS_RN	113807-95-7 
FORMULA	C18H12O4 
EXACTMASS	292.073558872 
AVERAGEMASS	292.28548 
SMILES	c(C(=C4)Oc(c(C(=O)4)3)cc(c2c3)occ2)(c1)ccc(OC)c1 
M  END
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