Mol:FL5FABGI0015

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FL5FABGI0015.png 

 
 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  68  69 
M  SBL   3  1  74 
M  SMT   3  CH2OH 
M  SVB   3 74   -3.9022   -0.6163 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  66  67 
M  SBL   2  1  72 
M  SMT   2  CH2OH 
M  SVB   2 72   -3.8772     1.231 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  64  65 
M  SBL   1  1  70 
M  SMT   1  OCH3 
M  SVB   1 70    3.2026    2.1209 
S  SKP  8 
ID	FL5FABGI0015 
KNApSAcK_ID	C00005832 
NAME	Acuminatoside 
CAS_RN	142735-71-5 
FORMULA	C45H60O24 
EXACTMASS	984.347452848 
AVERAGEMASS	984.9435 
SMILES	C(=CCc(c5O[C@H](O6)[C@@H](O[C@@H]([C@@H](O)7)OC(CO)[C@@H]([C@H](O)7)O)[C@H]([C@@H](O)C6CO)O)c(c(c(c5)O)1)OC(c(c4)ccc(c4)OC)=C(O[C@@H](O2)[C@@H](O[C@@H](O3)[C@H]([C@H](O)[C@H](O)C3C)O)[C@H](O)[C@@H](C(C)2)O)C(=O)1)(C)C 
M  END
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