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Mol:FL5FCEGL0002 - Revision history
2026-05-16T05:35:20Z
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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 />
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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 -0.1218 -2.4591<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 44 45<br />
M SBL 2 1 48<br />
M SMT 2 OCH3<br />
M SVB 2 48 2.096 2.3504<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 -2.8104 1.6274<br />
S SKP 8<br />
ID FL5FCEGL0002<br />
KNApSAcK_ID C00005615<br />
NAME Ombuin 3-neohesperidoside<br />
CAS_RN 73427-23-3<br />
FORMULA C29H34O16<br />
EXACTMASS 638.18468504<br />
AVERAGEMASS 638.57066<br />
SMILES [C@@H]([C@H](O)1)([C@@H](C(C)O[C@@H]1OC(C(O)2)[C@H](OC(=C3c(c5)ccc(OC)c5O)C(=O)c(c4O)c(cc(OC)c4)O3)O[C@H](CO)[C@H](O)2)O)O<br />
M END<br />
</pre></div>
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