Mol:FLIDWXNS0006

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FLIDWXNS0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
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    2.8184   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3757   -1.1197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2418   -1.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
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 13 14  1  0  0  0  0
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  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
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  1 19  1  0  0  0  0
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 21 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    1.7467    -0.826
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    2.1039    0.4101
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -2.8184    1.6492
S  SKP  8
ID	FLIDWXNS0006
KNApSAcK_ID	C00009698
NAME	Bryacarpene 2;10-Hydroxy-3,8,9-trimethoxypterocarpene
CAS_RN	55306-15-5
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	c(c4OC)c(c3c(c4OC)O)c(c(o3)2)COc(c21)cc(OC)cc1
M  END

</pre>

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