Mol:FL5FACGL0066

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FL5FACGL0066.png 

 
 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  65  66 
M  SBL   2  1  71 
M  SMT   2  CH2OH 
M  SVB   2 71    0.3996   -3.0248 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  63  64 
M  SBL   1  1  69 
M  SMT   1  CH2OH 
M  SVB   1 69   -2.2847   -0.7694 
S  SKP  8 
ID	FL5FACGL0066 
KNApSAcK_ID	C00005985 
NAME	Quercetin 3-(6''''-p-coumarylsophorotrioside) 
CAS_RN	167638-65-5 
FORMULA	C42H46O24 
EXACTMASS	934.2379024 
AVERAGEMASS	934.8002399999999 
SMILES	O[C@H](C(O)5)[C@H](O[C@H](C5O[C@H]([C@@H]6O)OC(COC(=O)C=Cc(c7)ccc(O)c7)[C@H]([C@H]6O)O)O[C@@H]([C@H]1O)[C@H](OC(C(=O)2)=C(c(c4)cc(c(c4)O)O)Oc(c3)c2c(O)cc(O)3)OC([C@H](O)1)CO)CO 
M  END
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