Mol:FL5FACGL0073

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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  65  66 
M  SBL   3  1  71 
M  SMT   3  CH2OH 
M  SVB   3 71   -4.0617    3.3532 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  63  64 
M  SBL   2  1  69 
M  SMT   2  CH2OH 
M  SVB   2 69    1.0954   -3.8624 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  61  62 
M  SBL   1  1  67 
M  SMT   1  CH2OH 
M  SVB   1 67    -1.225   -1.1093 
S  SKP  8 
ID	FL5FACGL0073 
KNApSAcK_ID	C00005995 
NAME	Quercetin 3-p-coumarylsophoroside-7-glucoside 
CAS_RN	162556-36-7 
FORMULA	C42H46O24 
EXACTMASS	934.2379024 
AVERAGEMASS	934.8002399999999 
SMILES	O=C(c64)C(=C(c(c7)ccc(O)c(O)7)Oc(cc(cc6O)O[C@@H](O5)C(C([C@H](O)[C@@H]5CO)O)O)4)O[C@@H]([C@H]1O[C@@H](C(OC(C=Cc(c3)ccc(c3)O)=O)2)O[C@@H]([C@H](O)C2O)CO)OC([C@@H]([C@@H]1O)O)CO 
M  END
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