Mol:FL1C28NI0001

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FL1C28NI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 32  0  0  0  0  0  0  0  0999 V2000 
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   -3.8887   -1.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5819    0.6908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7996    1.2628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5140    0.8503    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 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
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  3 19  1  0  0  0  0 
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 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 14 29  1  0  0  0  0 
 13 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  31 
M  SMT   1 OCH3 
M  SBV   1 31   -6.8709    2.9773 
S  SKP  8 
ID	FL1C28NI0001 
KNApSAcK_ID	C00007142 
NAME	5-Deoxyhomoflemingin 
CAS_RN	25146-22-9 
FORMULA	C26H30O5 
EXACTMASS	422.20932407 
AVERAGEMASS	422.5134 
SMILES	c(c1C=CC(=O)c(c(O)2)cc(c(c2CC=C(CCC=C(C)C)C)O)OC)cccc(O)1 
M  END
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