Mol:FL5FADGS0018

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Copyright: ARM project http://www.metabolome.jp/
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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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