Mol:FL6D3CNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
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    0.2229   -0.1760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.3334    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7790    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3459   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9129    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.3459    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0889   -1.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  9 10  1  0  0  0  0 
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 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    0.4217   -1.0246 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    -1.168    0.7182 
S  SKP  8 
ID	FL6D3CNS0005 
KNApSAcK_ID	C00009013 
NAME	Mesquitol-4beta-ol 3,8-dimethyl ether 
CAS_RN	- 
FORMULA	C17H18O7 
EXACTMASS	334.10525293 
AVERAGEMASS	334.32061999999996 
SMILES	COc(c(O)3)c(O1)c(cc3)[C@H](O)[C@H](OC)[C@H]1c(c2)cc(O)c(O)c2 
M  END