Mol:FL5FECGS0030

 
 
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   -2.8893   -0.5138 
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   -1.1425    0.7826 
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    1.6388   -0.6848 
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    2.8464     2.043 
S  SKP  8 
ID	FL5FECGS0030 
KNApSAcK_ID	C00005676 
NAME	Chrysosplenoside C 
CAS_RN	24274-45-1 
FORMULA	C24H26O13 
EXACTMASS	522.137340918 
AVERAGEMASS	522.45544 
SMILES	C(C([C@H](O)1)O[C@@H](Oc(c4O)c(OC)cc(c43)OC(=C(OC)C3=O)c(c2)cc(c(c2)O)OC)[C@H]([C@H]1O)O)O 
M  END