Mol:FLIA3AGS0003

Latest revision as of 09:00, 14 March 2009

 
 
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  41  42 
M  SBL   4  1  45 
M  SMT   4  CH2OH 
M  SVB   4 45   -2.2624    1.4332 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  37  38 
M  SBL   3  1  41 
M  SMT   3  CH2OH 
M  SVB   3 41   -4.4693    0.6082 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  43  44 
M  SBL   2  1  47 
M  SMT   2  OCH3 
M  SVB   2 47    1.0347    1.5741 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  39  40 
M  SBL   1  1  43 
M  SMT   1  OCH3 
M  SVB   1 43    4.3394   -1.1616 
S  SKP  8 
ID	FLIA3AGS0003 
KNApSAcK_ID	C00010096 
NAME	8-O-Methylretusin 7-O-laminaribioside 
CAS_RN	56222-46-9 
FORMULA	C29H34O15 
EXACTMASS	622.189770418 
AVERAGEMASS	622.5712599999999 
SMILES	O([C@@H]([C@H]5O)OC([C@@H]([C@H](O)5)O)CO)[C@H]([C@H](O)1)[C@H](C(O[C@H]1Oc(c4OC)ccc(c24)C(C(c(c3)ccc(OC)c3)=CO2)=O)CO)O 
M  END