Mol:FL5FADGS0018

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FL5FADGS0018.png

 
 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  52  53 
M  SBL   3  1  57 
M  SMT   3  CH2OH 
M  SVB   3 57   -2.9079    1.3533 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  50  51 
M  SBL   2  1  55 
M  SMT   2  CH2OH 
M  SVB   2 55    -2.964    -0.494 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  54  55 
M  SBL   1  1  59 
M  SMT   1  OCH3 
M  SVB   1 59    3.1785    2.5488 
S  SKP  8 
ID	FL5FADGS0018 
KNApSAcK_ID	C00005587 
NAME	Isorhamnetin 3-rhamnoside-7-sophoroside 
CAS_RN	123131-40-8 
FORMULA	C34H42O21 
EXACTMASS	786.2218584059999 
AVERAGEMASS	786.68468 
SMILES	O[C@@H]([C@H]6O)C(C)O[C@@H]([C@H]6O)OC(C(=O)1)=C(c(c5)ccc(O)c5OC)Oc(c2)c1c(O)cc2O[C@H](O4)[C@H]([C@H]([C@@H](O)C4CO)O)O[C@H](O3)[C@H]([C@H]([C@H](C3CO)O)O)O 
M  END
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