Mol:FL5FEANS0004

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FL5FEANS0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.9630    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183   -0.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191    0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191   -0.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8431   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286   -1.4198    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
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
 15 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1 OCH3
M  SBV   1 24   -7.0153    3.4831
S  SKP  8
ID	FL5FEANS0004
KNApSAcK_ID	C00004592
NAME	Vogeletin
CAS_RN	5217-93-6
FORMULA	C16H12O7
EXACTMASS	316.058302738
AVERAGEMASS	316.26228000000003
SMILES	COc(c(O)3)c(C(=O)1)c(cc(O)3)OC(c(c2)ccc(O)c2)=C(O)1
M  END

</pre>

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