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Mol:FL5FADGL0007 - 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 -0.5913 -2.3721<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 3.2506 0.0078<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 0.772 2.9385<br />
S SKP 8<br />
ID FL5FADGL0007<br />
KNApSAcK_ID C00005544<br />
NAME Isorhamnetin 3-sophoroside<br />
CAS_RN 74137-43-2<br />
FORMULA C28H32O17<br />
EXACTMASS 640.163949598<br />
AVERAGEMASS 640.54348<br />
SMILES OC[C@H]([C@H](O)1)O[C@@H](OC(=C4c(c5)cc(OC)c(O)c5)C(=O)c(c3O4)c(cc(c3)O)O)C(O[C@@H](O2)[C@H](O)[C@@H]([C@@H](C2CO)O)O)C1O<br />
M END<br />
</pre></div>
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