Mol:FL4DCANS0001

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FL4DCANS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -1.9244   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4035   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8827   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8827    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4035    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9244    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3618   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1591   -0.4629    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.1591    0.1385    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.3618    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6795    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3618   -1.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2138    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7482    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7482    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2138    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6795    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5905   -0.8943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4035   -1.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2817    1.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2817    0.7573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7817    1.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  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  4  1  0  0  0  0 
  9 11  1  6  0  0  0 
  7 12  2  0  0  0  0 
 11 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 11  1  0  0  0  0 
  8 18  1  1  0  0  0 
  2 19  1  0  0  0  0 
 15 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  SVB   1 23   -2.2817    0.7573 
S  SKP  8 
ID	FL4DCANS0001 
KNApSAcK_ID	C00008556 
NAME	Aromadendrin 7-methyl ether 
CAS_RN	37971-69-0 
FORMULA	C16H14O6 
EXACTMASS	302.07903818 
AVERAGEMASS	302.27876000000003 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)[C@H](O)[C@H]1c(c2)ccc(O)c2 
M  END
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