Mol:FL5FAAGL0021

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  53  54 
M  SBL   3  1  58 
M  SMT   3  CH2OH 
M  SVB   3 58    4.3076      0.25 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  51  52 
M  SBL   2  1  56 
M  SMT   2  CH2OH 
M  SVB   2 56    2.2407   -1.7547 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  49  50 
M  SBL   1  1  54 
M  SMT   1  CH2OH 
M  SVB   1 54   -1.0561   -1.6929 
S  SKP  8 
ID	FL5FAAGL0021 
KNApSAcK_ID	C00005208 
NAME	Kaempferol 3-sophorotrioside 
CAS_RN	80714-53-0 
FORMULA	C33H40O21 
EXACTMASS	772.206208342 
AVERAGEMASS	772.6581 
SMILES	c(c1)c(O)ccc(C(=C(O[C@H](O4)[C@@H](O[C@H](O5)C(O[C@@H](O6)[C@H](O)[C@H](O)[C@H](O)C6CO)C([C@@H](O)[C@@H](CO)5)O)[C@@H](O)[C@@H](O)C4CO)3)Oc(c(C3=O)2)cc(cc2O)O)1 
M  END