Mol:FL2FE8NS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
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    0.2076    0.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1892    0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6786    0.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1681    0.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9250   -0.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5343   -1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  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  2  1  0  0  0  0
  5  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  6  1  0  0  0  0
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 12 13  1  0  0  0  0
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  9 17  1  1  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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  7 21  2  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
  4 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  25
M  SMT   1 OCH3
M  SBV   1 25   -7.8365    5.6525
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  27
M  SMT   2 ^OCH3
M  SBV   2 27   -7.8343    5.6438
S  SKP  8
ID	FL2FE8NS0001
KNApSAcK_ID	C00000942
NAME	Betagarin
CAS_RN	60132-69-6
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	c(c(C(C4)(Oc(c3)c(C4=O)c(c(c32)OCO2)OC)[H])1)(OC)cccc1
M  END

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