Mol:FL64A9NP0002

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FL64A9NP0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
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    1.3889    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.1599   -1.1436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.5580   -1.5561    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 
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  7  8  1  0  0  0  0 
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  3 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  26 
M  SMT   1 OCH3 
M  SBV   1 26   -8.5897    4.0481 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  28 
M  SMT   2 OCH3 
M  SBV   2 28   -8.5897    4.0481 
S  SKP  8 
ID	FL64A9NP0002 
KNApSAcK_ID	C00008987 
NAME	Methylhildgardtol B 
CAS_RN	104777-99-3 
FORMULA	C22H24O4 
EXACTMASS	352.167459256 
AVERAGEMASS	352.42356 
SMILES	O(c31)C(c(c4)cccc4)CC(c1c(cc(c32)OC(C=C2)(C)C)OC)OC 
M  END
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