Mol:FL1DHXNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 23  0  0  0  0  0  0  0  0999 V2000 
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   -0.4297   -0.1503    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.1216   -0.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6717   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2101   -0.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7485   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7485    0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2101    0.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6717    0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.5012    1.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2867    0.7814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0012    0.3689    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 
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  6  1  1  0  0  0  0 
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 13 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    2.2867    0.7814 
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   -3.0012    1.1088 
S  SKP  8 
ID	FL1DHXNS0002 
KNApSAcK_ID	C00000988 
NAME	Odoratol 
CAS_RN	94943-12-1 
FORMULA	C17H18O5 
EXACTMASS	302.115423686 
AVERAGEMASS	302.32182 
SMILES	COc(c2)ccc(c2)C[C@@H](O)C(=O)c(c1)c(O)cc(OC)c1 
M  END