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Mol:FL5FADGS0018 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 52 53<br />
M SBL 3 1 57<br />
M SMT 3 CH2OH<br />
M SVB 3 57 -2.9079 1.3533<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 50 51<br />
M SBL 2 1 55<br />
M SMT 2 CH2OH<br />
M SVB 2 55 -2.964 -0.494<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 54 55<br />
M SBL 1 1 59<br />
M SMT 1 OCH3<br />
M SVB 1 59 3.1785 2.5488<br />
S SKP 8<br />
ID FL5FADGS0018<br />
KNApSAcK_ID C00005587<br />
NAME Isorhamnetin 3-rhamnoside-7-sophoroside<br />
CAS_RN 123131-40-8<br />
FORMULA C34H42O21<br />
EXACTMASS 786.2218584059999<br />
AVERAGEMASS 786.68468<br />
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<br />
M END<br />
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