Mol:FL4D1CNS0003

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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
   -1.3220   -1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8011   -0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8011   -0.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    0.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8429   -0.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2802   -1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -2.3632    0.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3632    1.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
  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

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