Mol:FL1CE9NS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.0511    0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385    0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948    0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3822   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1741   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7302   -0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2863   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473   -0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473    0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2863    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3822   -1.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948   -1.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0725    0.8557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2167    1.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7801    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.9745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9082    1.8406    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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22   -2.4083    0.9745
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20   -1.2167    1.2499
S  SKP  8
ID	FL1CE9NS0001
KNApSAcK_ID	C00006959
NAME	Pashanone
CAS_RN	42438-78-8
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COc(c1)c(OC)c(O)c(C(=O)C=Cc(c2)cccc2)c(O)1
M  END

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