Mol:FL5FECGS0023

 
 
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  36  37 
M  SBL   4  1  39 
M  SMT   4  CH2OH 
M  SVB   4 39    3.2844    1.0986 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  34  35 
M  SBL   3  1  37 
M  SMT   3  OCH3 
M  SVB   3 37   -0.8604   -1.1229 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2  OCH3 
M  SVB   2 35   -3.9989   -0.8252 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33   -3.6417    0.3444 
S  SKP  8 
ID	FL5FECGS0023 
KNApSAcK_ID	C00005669 
NAME	Chrysosplenoside D 
CAS_RN	25321-00-0 
FORMULA	C24H26O13 
EXACTMASS	522.137340918 
AVERAGEMASS	522.45544 
SMILES	O(C)c(c4OC)c(O)c(c3c4)C(C(OC)=C(O3)c(c1)ccc(O[C@@H](C2O)O[C@@H]([C@@H](C2O)O)CO)c1O)=O 
M  END