Mol:FL3FAIGS0003

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   3 SUP
M  SLB  1   3   3
M  SAL   3  2  32  33
M  SBL   3  1  35
M  SMT   3  CH2OH
M  SVB   3 35    -2.355   -0.5489
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  34  35
M  SBL   2  1  37
M  SMT   2  OCH3
M  SVB   2 37    2.5611    0.5471
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33    2.2288    2.0948
S  SKP  8
ID	FL3FAIGS0003
KNApSAcK_ID	C00004461
NAME	Tricin 5-glucoside
CAS_RN	32769-00-9
FORMULA	C23H24O12
EXACTMASS	492.126776232
AVERAGEMASS	492.42946
SMILES	O[C@@H]([C@H]4O)[C@@H](OC(CO)[C@@H]4O)Oc(c3)c(c(cc3O)1)C(=O)C=C(c(c2)cc(c(c(OC)2)O)OC)O1
M  END

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