Mol:FL5FAAGL0051

 
 
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   -3.7633   -0.6852 
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    4.2332   -0.6664 
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   -3.7484    1.1621 
S  SKP  8 
ID	FL5FAAGL0051 
KNApSAcK_ID	C00005248 
NAME	Kaempferol 3-glucoside-7-sophoroside 
CAS_RN	135264-85-6 
FORMULA	C33H40O21 
EXACTMASS	772.206208342 
AVERAGEMASS	772.6581 
SMILES	OC(C(O)1)[C@@H](O)[C@@H](CO)O[C@H]1OC(=C5c(c6)ccc(O)c6)C(=O)c(c2O)c(O5)cc(O[C@@H]([C@@H](O[C@@H]([C@@H](O)4)OC(CO)[C@H](O)[C@H](O)4)3)OC(CO)[C@H](O)[C@H](O)3)c2 
M  END