Mol:FL5FAAGL0035

 
 
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    1.0945   -2.1319 
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    4.6444    0.2143 
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   -3.7664    1.7608 
S  SKP  8 
ID	FL5FAAGL0035 
KNApSAcK_ID	C00005229 
NAME	Kaempferol 3-sophoroside-7-glucoside 
CAS_RN	55136-76-0 
FORMULA	C33H40O21 
EXACTMASS	772.206208342 
AVERAGEMASS	772.6581 
SMILES	c(c5)(O)c(c1cc(O[C@@H]([C@@H](O)6)OC(CO)[C@H](O)[C@@H]6O)5)C(C(O[C@H](O4)C(C(O)[C@H]([C@@H](CO)4)O)O[C@@H](O3)[C@@H]([C@H](O)[C@@H](C(CO)3)O)O)=C(c(c2)ccc(O)c2)O1)=O 
M  END