Mol:FLID1ANF0003

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FLID1ANF0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 26  0  0  0  0  0  0  0  0999 V2000 
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    0.2580    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2983    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.8141   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4089   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.0037    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.9557    0.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5781    0.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8697   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7358   -1.6763    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 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  1  0  0  0  0 
 12 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20  2  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25    2.2412   -0.8826 
S  SKP  8 
ID	FLID1ANF0003 
KNApSAcK_ID	C00010003 
NAME	9-O-Methylneodunol 
CAS_RN	53833-80-0 
FORMULA	C18H14O4 
EXACTMASS	294.089208936 
AVERAGEMASS	294.30136 
SMILES	c(c45)c(c1cc4occ5)C(O3)C(c(c32)ccc(OC)c2)CO1 
M  END
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