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Mol:FL5FCAGL0003 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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16 17 2 0 0 0 0<br />
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1 40 1 0 0 0 0<br />
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24 42 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 42 43<br />
M SBL 2 1 46<br />
M SMT 2 CH2OH<br />
M SVB 2 46 0.0794 -2.1491<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 44<br />
M SMT 1 OCH3<br />
M SVB 1 44 -2.6266 1.9475<br />
S SKP 8<br />
ID FL5FCAGL0003<br />
KNApSAcK_ID C00005278<br />
NAME Rhamnocitrin 3-neohesperidoside<br />
CAS_RN 129885-17-2<br />
FORMULA C28H32O15<br />
EXACTMASS 608.174120354<br />
AVERAGEMASS 608.54468<br />
SMILES [C@@H]([C@H](O)1)([C@@H](C(C)O[C@@H]1OC(C(O)5)[C@@H](O[C@H](CO)[C@H](O)5)OC(C(=O)2)=C(c(c4)ccc(c4)O)Oc(c3)c(c(O)cc3OC)2)O)O<br />
M END<br />
</pre></div>
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