Mol:FL3FAADS0016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  48  49 
M  SBL   1  1  53 
M  SMT   1 CH2OH 
M  SBV   1 53   -5.0814    8.0676 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  50  51 
M  SBL   2  1  55 
M  SMT   2 ^CH2OH 
M  SBV   2 55   -5.5313    7.8872 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  52  53 
M  SBL   3  1  57 
M  SMT   3 ^CH2OH 
M  SBV   3 57   -5.5076    7.8872 
S  SKP  8 
ID	FL3FAADS0016 
KNApSAcK_ID	C00006321 
NAME	Isovitexin 7-O-galactoside-2''-O-glucoside 
CAS_RN	72021-35-3 
FORMULA	C33H40O20 
EXACTMASS	756.21129372 
AVERAGEMASS	756.6587 
SMILES	C(=C5)(c(c6)ccc(O)c6)Oc(c(C5=O)1)cc(OC(O4)C(C(O)C(O)C4CO)O)c(C(C2OC(C3O)OC(C(C3O)O)CO)OC(CO)C(C(O)2)O)c1O 
M  END