Mol:FL5FECGS0036

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  31  32 
M  SBL   5  1  34 
M  SMT   5  CH2OH 
M  SVB   5 34    1.2583    1.8945 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  37  38 
M  SBL   4  1  40 
M  SMT   4  OCH3 
M  SVB   4 40   -2.3151    -0.615 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  35  36 
M  SBL   3  1  38 
M  SMT   3  OCH3 
M  SVB   3 38    0.4662   -2.0824 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SVB   2 36   -2.5415   -2.4167 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32    2.5415    0.0609 
S  SKP  8 
ID	FL5FECGS0036 
KNApSAcK_ID	C00005683 
NAME	Casticin 3'-glucoside 
CAS_RN	71827-14-0 
FORMULA	C25H28O13 
EXACTMASS	536.152990982 
AVERAGEMASS	536.48202 
SMILES	O(C)c(c3O[C@H](O4)[C@H]([C@@H](O)[C@H](C4CO)O)O)ccc(c3)C(=C2OC)Oc(c1)c(C2=O)c(O)c(OC)c1OC 
M  END