Mol:FL5FABGI0017

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FL5FABGI0017.png

 
 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  48  49 
M  SBL   1  1  52 
M  SMT   1 OCH3 
M  SBV   1 52   -5.5984    4.1350 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  50  51 
M  SBL   2  1  54 
M  SMT   2 CH2OH 
M  SBV   2 54   -5.7827    3.8945 
S  SKP  8 
ID	FL5FABGI0017 
KNApSAcK_ID	C00006054 
NAME	Sagittatoside C 
CAS_RN	118525-37-4 
FORMULA	C35H42O16 
EXACTMASS	718.247285296 
AVERAGEMASS	718.69838 
SMILES	C(C(O)1)(C(O)C(OC(C2OC(=C4c(c5)ccc(OC)c5)C(=O)c(c(O)3)c(O4)c(CC=C(C)C)c(c3)O)C(OC(C)=O)C(O)C(C)O2)OC(CO)1)O 
M  END
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