Mol:FL5FALGS0002

 
 
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  30  31 
M  SBL   4  1  33 
M  SMT   4  CH2OH 
M  SVB   4 33   -1.2561    2.0819 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  36  37 
M  SBL   3  1  39 
M  SMT   3  OCH3 
M  SVB   3 39   -2.7528    0.1425 
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    2.1038    0.8184 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SVB   1 35    0.0285   -1.3249 
S  SKP  8 
ID	FL5FALGS0002 
KNApSAcK_ID	C00005723 
NAME	Chrysosplenoside A 
CAS_RN	23615-30-7 
FORMULA	C24H26O13 
EXACTMASS	522.137340918 
AVERAGEMASS	522.45544 
SMILES	c(c1OC)(O)cc(C(=C4OC)Oc(c3)c(C(=O)4)c(O)cc(OC)3)c(O[C@@H]([C@H]2O)OC([C@H](O)[C@@H]2O)CO)c1 
M  END