Mol:FL1DE9NS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 23  0  0  0  0  0  0  0  0999 V2000 
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    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 
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   -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 
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  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
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 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