Mol:FL4D1CNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -1.8429   -0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2407   -0.8068    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.2407   -0.2053    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.2802    0.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7610    0.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2802   -2.1075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2954   -0.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8298    0.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8298    0.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2954    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7610    0.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.2954    1.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6391   -1.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0719   -2.5381    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 
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  6 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  8 21  1  1  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    0.6391   -1.6366 
S  SKP  8 
ID	FL4D1CNS0003 
KNApSAcK_ID	C00008562 
NAME	3-O-Methyl-2,3-trans-fustin 
CAS_RN	38681-23-1 
FORMULA	C16H14O6 
EXACTMASS	302.07903818 
AVERAGEMASS	302.27876000000003 
SMILES	CO[C@@H](C(=O)2)[C@H](Oc(c3)c(ccc(O)3)2)c(c1)cc(O)c(O)c1 
M  END