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Mol:FL5FADGS0016 - 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 42 43<br />
M SBL 3 1 46<br />
M SMT 3 CH2OH<br />
M SVB 3 46 -3.0125 0.8855<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 44<br />
M SMT 2 CH2OH<br />
M SVB 2 44 -3.0274 -0.9617<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 44 45<br />
M SBL 1 1 48<br />
M SMT 1 OCH3<br />
M SVB 1 48 3.3214 2.1636<br />
S SKP 8<br />
ID FL5FADGS0016<br />
KNApSAcK_ID C00005563<br />
NAME Isorhamnetin 7-sophoroside<br />
CAS_RN 123131-39-5<br />
FORMULA C28H32O17<br />
EXACTMASS 640.163949598<br />
AVERAGEMASS 640.54348<br />
SMILES O(c(c5)cc(c3c(O)5)OC(c(c4)cc(c(O)c4)OC)=C(C3=O)O)[C@@H]([C@H]1O[C@@H]([C@H]2O)OC([C@@H]([C@@H]2O)O)CO)OC([C@@H]([C@H](O)1)O)CO<br />
M END<br />
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