Mol:FL1DCANS0001

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FL1DCANS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.8433    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8433   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3429   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8424   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8424    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3429    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3789   -0.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1585   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1585    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3420    0.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6873    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6873    1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730    1.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3429   -1.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2005    1.3113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3789   -1.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2005    0.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7004    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  3 17  1  0  0  0  0
 14 18  1  0  0  0  0
  7 19  2  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.2005    0.7511
S  SKP  8
ID	FL1DCANS0001
KNApSAcK_ID	C00000940
NAME	Asebogenin
CAS_RN	520-42-3
FORMULA	C16H16O5
EXACTMASS	288.099773622
AVERAGEMASS	288.29524
SMILES	COc(c1)cc(O)c(C(=O)CCc(c2)ccc(O)c2)c(O)1
M  END

</pre>

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