Mol:FL3FAADS0019

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FL3FAADS0019.png

 
 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  50  51 
M  SBL   1  1  55 
M  SMT   1 ^CH2OH 
M  SBV   1 55   -7.1067    7.5552 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  52  53 
M  SBL   2  1  57 
M  SMT   2 OCH3 
M  SBV   2 57   -7.1444    6.6103 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  54  55 
M  SBL   3  1  59 
M  SMT   3 CH2OH 
M  SBV   3 59   -6.1330    7.1031 
S  SKP  8 
ID	FL3FAADS0019 
KNApSAcK_ID	C00006332 
NAME	Isovitexin 4'-O-glucoside 2''-O-(E)-ferulate 
CAS_RN	64763-02-6 
FORMULA	C37H38O18 
EXACTMASS	770.205814412 
AVERAGEMASS	770.6868199999999 
SMILES	C(OC(C6O)C(OC(C6O)CO)c(c(O)2)c(O)cc(O3)c2C(C=C3c(c4)ccc(OC(C(O)5)OC(CO)C(C5O)O)c4)=O)(=O)C=Cc(c1)cc(OC)c(O)c1 
M  END
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