Mol:FL6DPTNS0006

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FL6DPTNS0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 28  0  0  0  0  0  0  0  0999 V2000
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    2.7195    0.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9460   -0.9937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2316   -1.4062    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  9 10  2  0  0  0  0
  5 10  1  6  0  0  0
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  9 16  1  0  0  0  0
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  3 23  1  6  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  27
M  SMT   1 OCH3
M  SBV   1 27   -7.2938    2.6717
S  SKP  8
ID	FL6DPTNS0006
KNApSAcK_ID	C00009045
NAME	4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol
CAS_RN	-
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	O(c45)C(C(C(c4ccc(O)c5)OC)3)c(c2CO3)ccc(c21)OCO1
M  END

</pre>

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