Mol:FL4DDANS0001

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Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
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    0.2407    0.1385    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2802    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8298    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7610    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6391   -1.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719   -2.1942    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
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  7 12  2  0  0  0  0
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  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
 15 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   -1.2927
S  SKP  8
ID	FL4DDANS0001
KNApSAcK_ID	C00008554
NAME	Aromadendrin 3-methyl ether
CAS_RN	97231-20-4
FORMULA	C16H14O6
EXACTMASS	302.07903818
AVERAGEMASS	302.27876000000003
SMILES	CO[C@@H](C(=O)2)[C@H](Oc(c3)c(c(O)cc(O)3)2)c(c1)ccc(O)c1
M  END

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