Mol:FL1ABCNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
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   -0.3230    0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6754    0.5464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8032    0.6608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1187    0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0026    0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3029   -0.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.2037    0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9035    0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3029    0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8032    0.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5311   -0.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2032    1.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2197   -0.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5052   -1.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
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  6  1  1  0  0  0  0 
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  7  8  1  0  0  0  0 
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  7 19  2  0  0  0  0 
 16 20  1  0  0  0  0 
  6 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  23 
M  SMT   1 OCH3 
M  SBV   1 23   -5.9864    5.0154 
S  SKP  8 
ID	FL1ABCNS0001 
KNApSAcK_ID	C00008028 
NAME	Rengasin 
CAS_RN	54826-89-0 
FORMULA	C16H12O6 
EXACTMASS	300.063388116 
AVERAGEMASS	300.26288 
SMILES	COc(c3)c(c(=O)1)c(cc(O)3)oc(=Cc(c2)cc(O)c(O)c2)1 
M  END