Mol:FL5FELNS0017

Revision as of 09:00, 7 October 2008

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  2  30  31
M  SBL   7  1  32
M  SMT   7  OCH3
M  SVB   7 32   -2.1212    -1.153
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  28  29
M  SBL   6  1  30
M  SMT   6  OCH3
M  SVB   6 30   -2.5983    0.5898
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  26  27
M  SBL   5  1  28
M  SMT   5  OCH3
M  SVB   5 28    1.8838    0.0858
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  26
M  SMT   4  OCH3
M  SVB   4 26   -2.9555   -0.5799
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24     0.183    1.5655
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22     0.183   -0.8776
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20     2.241     1.274
S  SKP  8
ID	FL5FELNS0017
KNApSAcK_ID	C00004820
NAME	Benthamitin
CAS_RN	34318-24-6
FORMULA	C22H24O9
EXACTMASS	432.14203236599997
AVERAGEMASS	432.42056
SMILES	COc(c(OC)3)c(OC)c(C2=O)c(c3)OC(=C2OC)c(c(OC)1)cc(c(c1)OC)OC
M  END

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