Mol:FLIHBBNP0002

Revision as of 09:00, 7 October 2008

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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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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  1  2  1  0  0  0  0
  9 17  2  0  0  0  0
  1 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 19 23  1  0  0  0  0
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  7 26  1  0  0  0  0
 26 27  1  0  0  0  0
  3 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  28  29
M  SBL   3  1  31
M  SMT   3  OCH3
M  SVB   3 31   -1.5284   -0.2992
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  26  27
M  SBL   2  1  29
M  SMT   2  OCH3
M  SVB   2 29   -0.4158   -0.2992
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  27
M  SMT   1  OCH3
M  SVB   1 27    2.5595   -1.0316
S  SKP  8
ID	FLIHBBNP0002
KNApSAcK_ID	C00009788
NAME	Robustic acid methyl ether;Methyl robustate;O-Methylrobustic acid
CAS_RN	5307-60-8
FORMULA	C23H22O6
EXACTMASS	394.141638436
AVERAGEMASS	394.41718000000003
SMILES	O(C)c(c1)ccc(C(=C2OC)C(=O)Oc(c3)c(c(OC)c(C=4)c3OC(C4)(C)C)2)c1
M  END

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