Mol:FL5FECGS0024

 
 
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   -2.3607   -1.0191 
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    2.2612    2.5483 
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    0.9505   -1.0028 
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   -2.0849    0.1182 
S  SKP  8 
ID	FL5FECGS0024 
KNApSAcK_ID	C00005670 
NAME	Jaceidin 5-glucoside 
CAS_RN	151590-53-3 
FORMULA	C24H26O13 
EXACTMASS	522.137340918 
AVERAGEMASS	522.45544 
SMILES	c(c1OC)c(C(O4)=C(C(c(c43)c(c(OC)c(O)c3)O[C@H](O2)[C@@H](O)[C@H]([C@@H](O)C(CO)2)O)=O)OC)ccc(O)1 
M  END