Mol:FL3FBCNS0001

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FL3FBCNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -1.9630   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.1107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.6749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191    0.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5191    1.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8431   -1.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1286   -1.7471    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 
 15 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  3 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  23 
M  SMT   1 OCH3 
M  SBV   1 23   -4.8497    2.3102 
S  SKP  8 
ID	FL3FBCNS0001 
KNApSAcK_ID	C00003864 
NAME	Luteolin 5-methyl ether 
CAS_RN	58115-29-0 
FORMULA	C16H12O6 
EXACTMASS	300.063388116 
AVERAGEMASS	300.26288 
SMILES	COc(c3)c(C(=O)2)c(cc(O)3)OC(=C2)c(c1)cc(O)c(O)c1 
M  END
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