Mol:FLIFWYNS0002

Revision as of 09:00, 7 October 2008

<pre>

Copyright: ARM project http://www.metabolome.jp/
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  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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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  7 17  2  0  0  0  0
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 26 27  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  26  27
M  SBL   3  1  29
M  SMT   3  OCH3
M  SVB   3 29    1.9253   -1.0525
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  SVB   2 27   -2.6398    1.4227
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  SVB   1 25    0.6762   -1.3612
S  SKP  8
ID	FLIFWYNS0002
KNApSAcK_ID	C00009596
NAME	Stemonal
CAS_RN	54357-82-3
FORMULA	C19H16O8
EXACTMASS	372.08451748799996
AVERAGEMASS	372.32554
SMILES	c(c4OC)(OC)cc(c(c4)1)OC(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)1)O
M  END

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