Mol:FLIA2CGS0003

 
 
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   -3.5445    1.5037 
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    -1.796    0.2004 
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    3.0573   -1.0912 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  31 
M  SMT   1  OCH3 
M  SVB   1 31    3.4146    0.0701 
S  SKP  8 
ID	FLIA2CGS0003 
KNApSAcK_ID	C00010100 
NAME	Cladrastin 7-O-glucoside 
CAS_RN	59183-50-5 
FORMULA	C24H26O11 
EXACTMASS	490.147511674 
AVERAGEMASS	490.45664 
SMILES	c(c23)c(c(cc(OC=C(c(c4)cc(OC)c(OC)c4)C(=O)3)2)O[C@@H]([C@H]1O)OC([C@H](O)[C@@H]1O)CO)OC 
M  END