Mol:FL1DE9NS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.0176    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0176   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4636   -0.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9096   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9096    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4636    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3559   -0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966   -0.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7480   -0.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2981   -0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365   -0.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3749   -0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3749    0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2981    0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3559   -1.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4636   -1.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0436    0.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3749    0.9721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750    1.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1868    1.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7515    2.1459    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
  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
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6 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   -1.1868    1.2456
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   -2.3749    0.9721
S  SKP  8
ID	FL1DE9NS0001
KNApSAcK_ID	C00007941
NAME	Dihydropashanone
CAS_RN	41997-41-5
FORMULA	C17H18O5
EXACTMASS	302.115423686
AVERAGEMASS	302.32182
SMILES	COc(c1)c(OC)c(O)c(C(=O)CCc(c2)cccc2)c(O)1
M  END

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