Mol:FL5FGCGL0001

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   4 SUP
M  SLB  1   4   4
M  SAL   4  2  33  34
M  SBL   4  1  36
M  SMT   4  CH2OH
M  SVB   4 36    3.2737   -1.7983
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  37  38
M  SBL   3  1  40
M  SMT   3  OCH3
M  SVB   3 40   -3.3075   -0.6318
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  35  36
M  SBL   2  1  38
M  SMT   2  OCH3
M  SVB   2 38    1.0386    1.7983
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1  OCH3
M  SVB   1 34   -1.7587    0.8133
S  SKP  8
ID	FL5FGCGL0001
KNApSAcK_ID	C00005783
NAME	Limocitrol 3-glucoside
CAS_RN	77133-42-7
FORMULA	C24H26O14
EXACTMASS	538.13225554
AVERAGEMASS	538.45484
SMILES	C(O4)(=C(C(c(c43)c(O)c(OC)c(O)c3OC)=O)O[C@H](O2)C(O)C([C@@H](O)[C@@H](CO)2)O)c(c1)cc(OC)c(c1)O
M  END

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