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Mol:FL3FAADS0007 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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10 5 1 0 0 0 0<br />
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15 16 2 0 0 0 0<br />
16 17 1 0 0 0 0<br />
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26 41 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 45<br />
M SMT 2 CH2OH<br />
M SVB 2 45 -3.0481 1.3974<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 43<br />
M SMT 1 CH2OH<br />
M SVB 1 43 -2.1373 -0.569<br />
S SKP 8<br />
ID FL3FAADS0007<br />
KNApSAcK_ID C00006224<br />
NAME Saponarin<br />
CAS_RN 20310-89-8<br />
FORMULA C27H30O15<br />
EXACTMASS 594.15847029<br />
AVERAGEMASS 594.5181<br />
SMILES O(C5CO)[C@H]([C@H]([C@H]([C@@H](O)5)O)O)Oc(c([C@@H]([C@@H](O)4)OC([C@H](O)[C@H](O)4)CO)3)cc(c2c3O)OC(=CC2=O)c(c1)ccc(c1)O<br />
M END<br />
</pre></div>
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