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Mol:FL5FAAGL0009 - Revision history
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<p><b>New page</b></p><div><pre><br />
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Copyright: ARM project http://www.metabolome.jp/<br />
42 46 0 0 0 0 0 0 0 0999 V2000<br />
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10 5 1 0 0 0 0<br />
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25 38 1 0 0 0 0<br />
31 8 1 0 0 0 0<br />
35 41 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 41 42<br />
M SBL 1 1 45<br />
M SMT 1 CH2OH<br />
M SVB 1 45 0.2798 -2.2783<br />
S SKP 8<br />
ID FL5FAAGL0009<br />
KNApSAcK_ID C00005167<br />
NAME Kaempferol 3-neohesperidoside<br />
CAS_RN 32602-81-6<br />
FORMULA C27H30O15<br />
EXACTMASS 594.15847029<br />
AVERAGEMASS 594.5181<br />
SMILES c(O)(c5)cc(c(c25)C(C(O[C@@H](C3O[C@H]([C@H]4O)OC(C)[C@H]([C@H]4O)O)O[C@H](CO)[C@@H](C(O)3)O)=C(O2)c(c1)ccc(c1)O)=O)O<br />
M END<br />
</pre></div>
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