Mol:FL631ANS0002

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FL631ANS0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 20 22  0  0  0  0  0  0  0  0999 V2000
    1.4747    0.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7603   -0.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0497    0.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6609   -0.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6609   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0497   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7603   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3715    0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0821   -0.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0821   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3715   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747   -1.4505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1996   -0.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9245    0.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9245    1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1996    1.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5111    1.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7966    0.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5111   -0.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  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  7  1  0  0  0  0
  7  2  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  9 19  1  0  0  0  0
  7 12  1  1  0  0  0
  1 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  1  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
S  SKP  8
ID	FL631ANS0002
KNApSAcK_ID	C00013260
NAME	Guibourtinidol-7-methyl ether
CAS_RN	-
FORMULA	C16H16O4
EXACTMASS	272.104859
AVERAGEMASS	272.29584
SMILES	COc(c3)cc(O1)c(c3)CC(O)C1c(c2)ccc(O)c2
M  END

</pre>

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