Mol:FL5FADGL0024

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M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  55  56 
M  SBL   4  1  60 
M  SMT   4  CH2OH 
M  SVB   4 60   -3.9793    1.7832 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  53  54 
M  SBL   3  1  58 
M  SMT   3  CH2OH 
M  SVB   3 58    1.3726   -2.5191 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  51  52 
M  SBL   2  1  56 
M  SMT   2  CH2OH 
M  SVB   2 56     3.962    0.6614 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  49  50 
M  SBL   1  1  54 
M  SMT   1  OCH3 
M  SVB   1 54      2.19    3.1025 
S  SKP  8 
ID	FL5FADGL0024 
KNApSAcK_ID	C00005579 
NAME	Isorhamnetin 3-sophoroside-7-glucoside 
CAS_RN	17331-29-2 
FORMULA	C34H42O22 
EXACTMASS	802.216773028 
AVERAGEMASS	802.68408 
SMILES	C(C([C@H]6O)O[C@@H]([C@@H]([C@@H]6O)O)OC([C@H](OC(=C2c(c5)cc(c(c5)O)OC)C(c(c4O)c(cc(c4)O[C@@H]([C@@H](O)3)OC([C@@H]([C@H](O)3)O)CO)O2)=O)1)C([C@H]([C@@H](CO)O1)O)O)O 
M  END
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